SANC00191 Millecrone B




Analog ID Similarity score SMILES

Selection options

Mcule | MolPort | All | None
MCULE-5300332080 0.97 O=C(C1CCCCCC=1)[C@H]1C[C@@H]2[C@@H](C2)C1
MCULE-1020785874 0.97 O=C(C12CCCC1C2)C1CCCCCC=1
MCULE-8226891771 0.97 CC(C1(C(C2CCCCCC=2)=O)CC1)C
MCULE-5102413219 0.97 O=C(C1CCCCCC=1)C1C2(CC2)C1
MCULE-6989137991 0.97 C1C(=O)CCC2([H])CC2([H])C=1
MCULE-2850571893 0.97 O=C(C1CCCCCC=1)C1C(C2CC2)C1
MCULE-5281461360 0.94 C1(=O)C=CCCCC1
MCULE-9704056914 0.94 O=C(C1CCCCCCC=1)C1C2(CC2)C1
MCULE-8414068028 0.94 C1(CCCCCC=1)C=O
MCULE-2243940623 0.94 C1CC2CC2CCC(=O)C=1
MCULE-5466118884 0.94 C1C(CCCCC=1C)=O
MolPort-020-858-906 0.94 O=CC1=CCCCCC1
MolPort-003-926-743 0.94 O=C1CCCCC=C1
MCULE-1177617044 0.91 C1(=O)CC23CC2(CCC3)C=C1
MCULE-3175746942 0.91 C12(C)C(=O)C=CC(CC1)C2(C)C
MCULE-7221367574 0.91 O=C(C12CCCC1C2)C1CCCC=1
MCULE-5119094209 0.91 O=C(C12CCCC1C2)C1CCCCC=1
MCULE-4876387221 0.91 O=C(C1CCCCC=1)CC1CC2C(C2)C1
MCULE-2160116138 0.91 O=C(C1CCCCC=1)[C@@H]1C[C@@H]2C[C@@H]2C1
MCULE-8777632906 0.91 O=C(C1CCCC=1)CC1CC2C(C2)C1
MCULE-6041020600 0.91 C12C(=O)C=CC(C1)CC2
MCULE-1373086617 0.91 O=C(C1CCCC=1)[C@H]1C[C@@H]2[C@@H](C2)C1
MCULE-2011218266 0.91 CC(C(C1CCCCCC=1)=O)C1CCC1
MCULE-2750952157 0.91 O=C(C1CCCCC=1)C1C(C2CC2)C1
MCULE-7999733772 0.91 C1CCCCCC2C(C)(C)CC(=O)C2=CCCC1
MCULE-1903986936 0.91 CC(C1C(C(C2CCCCC=2)=O)C1)(C)C
MCULE-8800846446 0.91 CC(C1C(C(C2CCCC=2)=O)C1)(C)C
MCULE-7700432494 0.91 O=C(C1CCCCC=1)C1C2(CC2)C1
MCULE-4387476121 0.91 C1C2CC=C(C)C(=O)C1C2(C)C
MCULE-6302987664 0.91 O=C(C1CCCC=1)C1C(C2CC2)C1
MCULE-6661177248 0.91 CC1CC(C(C2CCCCCC=2)=O)C1
MolPort-002-537-209 0.90 CC(=O)C1=C/CCCCCCCCCC\1
MolPort-016-579-165 0.90 O=C\C1=C\CCCCCC1
MCULE-3035020921 0.90 C1CCCCC=C(C=O)C1
MCULE-9444397237 0.90 C1CCC(=O)C=CCCC1
MCULE-3433190262 0.90 C1(CCCCCCCCCCC=1)C(C)=O
MolPort-044-723-195 0.88 C[C@@H]1CCCC2=CC(=O)[C@@H]3[C@@H](C3(C)C)[C@@]12C
MCULE-6135208734 0.88 CC1([C@@H]2C(C=C3[C@@](C)([C@H]12)[C@H](C)CCC3)=O)C
MCULE-2123440957 0.88 CC1C2(C)C(=CC(C3C(C)(C)C32)=O)CCC1
MCULE-8557116567 0.88 C12([H])C(C)CCC1([H])C(C)=CC2=O
MCULE-3650003593 0.88 O=C1C=C(CC2CC=CCC2)CCCC1
MCULE-1282304829 0.88 C/C(/C)=C/CCC1CCCCC(=O)C=1
MCULE-9382333306 0.88 C1(C)(C)CC(=O)C2=C(C)CCC12
MCULE-3625394348 0.88 O=C1C=C(CC2CC=CC2)CCCC1
MCULE-1323244269 0.88 O=C(C1CCCC=1)C1CC2(CC2)CCC1
MCULE-9790788139 0.88 O=C1CC2C3CCC(C(C)CCCC(C)C)C3(C)CCC2C2(C)CCCC=C21
MCULE-9326244207 0.88 O=C(C1CCCC=1)C1CCC2(CC2)CC1
MCULE-4594101266 0.88 C1CC2(C)CC(=O)C=C2C1
MCULE-4195941884 0.88 CC(C1(C(C2CCCCC=2)=O)CC1)C
MCULE-7439135180 0.88 CC(C1(C(C2CCCC=2)=O)CC1)C
MCULE-4948873814 0.88 C1(CCCCC1=O)=CC(CCCC)CC
MCULE-4187355503 0.88 CC1CC(C(C2CCCCCCC=2)=O)C1
MCULE-7819289735 0.88 C1(CCCC(C)=C1C=O)(C)C
MCULE-8149754044 0.88 C(C1=CC(C)CCC1)=O
MCULE-7594121913 0.88 C1(CCCCC1=O)=CCCCCCC
MCULE-8040115902 0.88 C(C)(C)(C)C1CC(=C2CCC(CC2)C(C)(C)C)C(CC1)=O
MolPort-019-992-002 0.88 O=C1CCC2(CCCC2)C=C1
MolPort-046-508-800 0.88 O=C1CC2(CCCC2)C=C1
MolPort-000-722-317 0.88 CCCCCC\C=C1/CCCCC1=O
MolPort-001-817-194 0.88 CCCCC(CC)\C=C1/CCCCC1=O
MolPort-001-794-308 0.88 CC1=C(C=O)C(C)(C)CCC1
MolPort-000-811-412 0.88 CCCCC(CC)\C=C1\CCCCC1=O
MolPort-046-792-980 0.88 CCCCCC\C=C1\CCCC1=O
MolPort-003-846-085 0.88 [2H]C([2H])([2H])C1=C(C=O)C(C)(C)CCC1([2H])[2H]
MolPort-027-836-194 0.87 CCCCC\C=C(\CCCC)C=O
MCULE-7619150531 0.87 CCCCC/C=C(\C=O)/CCCC
MCULE-9092365556 0.87 C(=O)C(CCCC)=CCCCCC
MolPort-046-765-408 0.86 C[C@]12CC[C@@H]3[C@@H]([C@H]4C[C@H]4C4=CC(=O)CC[C@]34C)[C@H]1[C@@H]1C[C@@H]1C2=O
MolPort-023-298-999 0.85 CC[C@H](\C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
MolPort-044-652-024 0.85 CC(=O)C1CC[C@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C
MolPort-001-740-063 0.85 CC(=O)[C@H]1CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
MolPort-023-276-307 0.85 CC=C1C(=O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-039-052-425 0.85 CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
MolPort-046-596-417 0.85 CC1CC2C3CC4CCCCC4(C(C)=O)[C@@]3(C)CCC2[C@@]2(C)CCC(=O)C=C12
MolPort-023-299-008 0.85 CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=C
MolPort-002-517-271 0.85 C[C@]12CCC3C(CCC4=CC(=O)CCC34)C1CCC2=O
MolPort-001-794-643 0.85 CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-002-524-345 0.85 CC(C)CCC[C@@H](C)[C@H]1CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
MolPort-003-941-496 0.85 C\C=C1/C(=O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-035-706-382 0.85 CC(=C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C=CC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12
MolPort-002-526-176 0.85 CC(C)[C@H](C)\C=C\[C@@H](C)[C@H]1CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C
MolPort-002-527-029 0.85 CC1C[C@H]2C3CC4CCCCC4(C(C)=O)[C@@]3(C)CCC2[C@@]2(C)CCC(=O)C=C12
MolPort-035-757-683 0.85 C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CCC2=O
MolPort-046-690-449 0.85 C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CCC2=C
MolPort-003-958-950 0.85 CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C
MolPort-023-274-272 0.85 CCC(\C=C\[C@@H](C)[C@H]1CCC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]12C)C(C)C
MolPort-001-785-926 0.85 CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
MolPort-002-509-923 0.85 CC[C@@H]1CC2C3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]2(C)C1C(C)=O
MolPort-002-506-935 0.85 C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(C)C(C)=O
MolPort-046-793-263 0.85 C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)C=C1CCCCC1
MolPort-046-765-458 0.85 CC[C@H](\C=C\[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
MolPort-019-940-196 0.85 CC1CC2C3CCC4=CC(=O)CCC4(C)C3CCC2(C)C1(C)C(C)=O
MolPort-000-730-189 0.85 CC(C)CCCC(C)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
MolPort-003-849-979 0.85 [2H]C1=C2C([2H])([2H])C[C@H]3[C@@H]4CC[C@]([2H])(C(=O)C([2H])([2H])[2H])[C@@]4(C)CC[C@@H]3[C@@]2(C)CC([2H])([2H])C1=O
MolPort-044-728-843 0.85 CC(=O)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C
MolPort-019-994-121 0.85 CCC12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CCC2=O
MolPort-002-509-205 0.85 C[C@@H]1CC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]2(C)[C@H]1C(C)=O
MolPort-002-511-077 0.85 C[C@@H]1CC2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3CC[C@]2(C)[C@@]1(C)C(C)=O
MolPort-000-146-137 0.85 CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-003-847-259 0.85 CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CCC2=O
MCULE-5924936253 0.85 CC1CC(C(C2CCCCC=2)=O)C1
MCULE-9392368882 0.85 C1=CC(CCC1(CCC)CCC)=O
MCULE-9894286158 0.85 O=C(C1CCCCC=1)C1CC2(CCC2)C1
MCULE-7695357226 0.85 O=C(C1CCCC=1)C1CC2(CCC2)C1
MCULE-9290289108 0.85 C1(C)C(=O)C=CC(C(C)C)C1
MCULE-4785640334 0.85 CC1CC(C(C2CCCC=2)=O)C1
MCULE-9551990259 0.85 CC1=CC(=O)CC(CC)C1
MCULE-2014220888 0.85 O=C1C=CCC2(CCC3C4CCC(C4(C)CCC3C21C)=O)[H]
MCULE-5865441641 0.85 O=C(C1CCCC=1)CC1CC2C(C2)CC1
MCULE-7380885765 0.85 O=C1CCC2(C3CCC4(C)CCCC4C3CCC2=C1)[H]
MCULE-8902385122 0.85 [C@]12(C)CCC(C=C1CC[C@]1([H])[C@]2([H])CC[C@]2([C@@]1([H])CCC2=O)C)=O
MCULE-1731235356 0.85 O=C(C1CCCCC=1)C1C2C(C2)CCC1
MCULE-4324141268 0.85 [C@]12(C)CCC3[C@@]([H])(CC(C4=CC(=O)CC[C@]34C)C)C1CC1CCCCC21C(C)=O
MCULE-7541137822 0.85 O=C1C=C(C2(C)C(C)C(C)C12C)C
MCULE-4303966960 0.85 C[C@@]12[C@H]3CC[C@]4(C)C(=O)CC[C@H]4[C@@H]3CCC1=CC(=O)CC2
MCULE-6708433496 0.85 C12CCC1C(=O)C=C2
MCULE-3893717167 0.85 [C@]12(C)CCC3C(CCC4=CC(=O)CC[C@]34C)C1C[C@@H](CC)C2C(C)=O
MCULE-3526435182 0.85 C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CC(C)C2(C)C(C)=O
MCULE-5238788396 0.85 [C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@@H]2C(C)=O)[H]
MCULE-5633538128 0.85 C12CCCC1(C)CC(=O)C=2C
MCULE-6340945460 0.85 O=C(C12CCCCC1C2)C1CCCCC=1
MCULE-2754957448 0.85 O=C(C1CCCC=1)C1C2C(C2)CCC1
MCULE-9795083418 0.85 O=C1CC[C@@]2([C@]3(CC[C@@]4(/C(=C/C)/C(=O)C[C@@]4([H])[C@]3([H])CCC2=C1)C)[H])C
MCULE-8316425336 0.85 O=C(C12CCCCC1C2)C1CCCC=1
MCULE-7132823730 0.85 [C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])CC[C@@H]2[C@H](C)CCCC(C)C)[H]
MCULE-1428417742 0.85 [C@]12(C)CC[C@]3([C@@]([H])(CCC4=CC(=O)CC[C@]34C)[C@]1([H])C[C@@H](C)[C@]2(C)C(C)=O)[H]
MCULE-7458844213 0.85 O=C(C1CCCC=1)C1CC2C(C2)CC1
MCULE-6739386631 0.85 O=C(C1CCCCC=1)C1CC2C(C2)CC1
MCULE-8841120984 0.85 CC(CCC[C@H]([C@@H]1[C@]2(C)[C@@]([C@]3([C@@](CC2)([H])[C@]2(C)C(=CC(=O)CC2)CC3)[H])([H])CC1)C)C
MCULE-6538426298 0.85 O=C1CCC2(C)C3CCC4(C)C(CCCCC(C)C)CCC4C3CCC2=C1
MCULE-3425686308 0.85 C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])(C(C)=O)CC[C@@]4([H])[C@]3([H])CCC2=CC1=O
MCULE-3132312011 0.85 O=C1C=CC2(C)C3CCC4(C)CCCC4C3CCC2(C1)[H]
MCULE-8417547529 0.85 C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(C)=O
MCULE-7384114075 0.85 C12(C)CCC(C=C1CCC1C2CCC2(C1CCC2=O)C)=O
MCULE-3125023758 0.85 C1C[C@]2(C)[C@@]3([H])CC[C@@]4([C@@H]([C@H](C)/C=C/[C@@H](CC)C(C)C)CC[C@@]4([H])[C@]3([H])CCC2=CC1=O)C
MCULE-3386101177 0.85 [C@]12(C)CCC3[C@@]([H])(CCC4=CC(=O)CC[C@]34C)C1CC[C@@H]2[C@H](C)/C=C/C(CC)C(C)C
MCULE-9661302470 0.85 C12(C)CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(C)CCCC(C)C
MCULE-9861301536 0.85 C1C(CC(CC=1C)CCC)=O
MCULE-1887138472 0.85 O=C1C(C)C(CC)C(C)C(CC)=C1
MCULE-7174333293 0.85 C1C(C[C@@H](CC=1C)CCC)=O
MCULE-6569061785 0.85 C1C2C(C1CC=C2C=O)(C)C
MCULE-6481056517 0.85 CC(C(C1CCCC=1)=O)C1CCC1
MCULE-1068654284 0.85 CC(C(C1CCCCC=1)=O)C1CCC1
MCULE-4612727757 0.85 C1[C@@H]2C([C@H]1CC=C2C=O)(C)C
MCULE-4005939250 0.85 C12(C)CCC3C(CCC4CCCCC34C)C1CC(=CC(C)C)C2=O
MCULE-2807643168 0.85 C1(C)CC(=O)C=C1CCCCC
MCULE-1578387226 0.85 O=C(C1CCCC=1)CC1CC=CC1
MolPort-046-158-507 0.85 C[C@@H](CCC=C(C)C)[C@H]1CCC(C)=CC1=O
MolPort-006-110-398 0.85 CC(C)C1CCC(C)=CC1=O
MolPort-002-509-716 0.85 O.O=C1[C@@H](C[C@H]2CCCC(C2=O)=C2CCCCC2)CCCC1=C1CCCCC1
MolPort-001-794-306 0.85 CC1(C)[C@@H]2C[C@H]1C(C=O)=CC2
MolPort-006-115-641 0.85 CCCC1CC(C)=CC(=O)C1
MolPort-002-513-687 0.85 CC1=C(CC2C(CCCC2(C)C)C1)C=O
MolPort-002-512-272 0.85 O=C1[C@@H](C[C@@H]2CCCC(C2=O)=C2CCCCC2)CCCC1=C1CCCCC1
MolPort-001-790-618 0.85 CC1(C)C2CC1C(C=O)=CC2
MolPort-002-506-951 0.85 CCC[C@@H]1CC(C)=CC(=O)C1
MolPort-013-791-457 0.85 O=C(C1CCCCC1)C1=CCCCC1
MolPort-046-792-981 0.84 CCCCC\C=C1\CCCC1=O
MolPort-008-348-849 0.84 CC(C)C\C=C1/CCCCC1=O
MolPort-028-603-498 0.84 CC(C)C\C=C1\CCCCC1=O
MolPort-001-781-465 0.84 CC(=O)C1=CCCCC1
MCULE-5676927364 0.84 C(=O)(CC(C)C)C1CCCC=1
MCULE-2644888783 0.84 C(=O)(CC(C)C)C1CCCCC=1
MCULE-9285433930 0.84 C1(CCCCC=1)C(CC)=O
MCULE-5034253909 0.84 C(C(C)C)(=O)C1CCCCC=1
MCULE-5040560976 0.84 O=C1C(=CC(CC)CC)CCCC1
MCULE-6881426714 0.84 O=C1CCCCC1=CCCCC
MCULE-7375388626 0.84 C1(CCCCC=1)C(CCC)=O
MCULE-4428185983 0.84 C1(CCCCC1=O)=CCC(C)C
MCULE-2588670002 0.84 C1(CCCC=1)C(CCC)=O
MCULE-9958324589 0.84 C1CCCC=C1C(=O)C
MCULE-1235419293 0.83 O=C1CCC2(C)C3CCC4(C)C(CCC4C3CC(C2=C1)=O)C(C)=O
MCULE-2318177037 0.83 C1C[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@@H](CC[C@@H](CC)C(C)C)C)CC[C@@]4([H])[C@]3([H])CC(=O)C2=CC1=O
MCULE-7535047148 0.83 CC12CCC(=O)C=C1C(=O)CC1C2CCC2(C)C1CCC2=O
MolPort-035-679-062 0.83 C[C@]12CC[C@H]3[C@@H](CC(=O)C4=CC(=O)CC[C@]34C)[C@@H]1CCC2=O
MolPort-046-691-486 0.83 CC(=O)[C@H]1CC[C@H]2[C@@H]3CC(=O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
MolPort-039-338-118 0.83 C[C@H](CC\C=C(/C)C=O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)C1CC3=O
MolPort-023-298-997 0.83 CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
MolPort-046-646-770 0.82 O=C1CC2(CCCCCC2)C=C1
MolPort-039-052-668 0.82 CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1
MolPort-046-674-170 0.82 O=C1CC2(CCC2)C=C1
MolPort-038-386-020 0.82 CC(CC(=O)C=C(C)C)C1CCC(C)=CC1=O
MolPort-003-913-461 0.82 O=C1CC2CCCCC2=C1
MolPort-002-511-291 0.82 CC(C)C1CC(=O)C=C2CCCCC12
MolPort-046-203-126 0.82 O=C1CC2(CCCCC2)C=C1
MolPort-022-257-993 0.82 O=C1CC2CCCCCC2=C1
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