SANC00387 Hispanolone




Analog ID Similarity score SMILES

Selection options

Mcule | MolPort | All | None
MCULE-6896727467 1 [C@@]1(O)(CCC2C=COC=2)[C@H](C)C(=O)C[C@@]2([H])C(CCC[C@]12C)(C)C
MCULE-3896342809 0.92 [C@]12(C)CCC[C@](C)(C(O)=O)[C@]1([H])[C@H](O)C[C@@H](C)[C@]2(O)CCC1C=COC=1
MolPort-002-523-806 0.81 CC1(CO)CCC[C@]2(C)[C@@H](CCC3=COC=C3)[C@H](CO)CCC12
MCULE-3896775073 0.81 [C@]12(C)CCCC(C)(CO)C1CC[C@@H](CO)[C@@H]2CCC1C=COC=1
MCULE-1751049156 0.81 C12(C)CCCC(C)(C(O)=O)C1CCC(=C)C2CCC1C=COC=1
MCULE-9944547747 0.81 [C@]12(C)CCC[C@](C)(C(O)=O)C1CCC(=C)[C@@H]2CCC1C=COC=1
MolPort-006-147-972 0.81 CC12CCCC(C)(C1CCC(=C)C2CCC1=COC=C1)C(O)=O
MolPort-001-741-188 0.81 C[C@]12CCC[C@@](C)(C1CCC(=C)[C@@H]2CCC1=COC=C1)C(O)=O
MolPort-001-742-408 0.81 C[C@@]12CCC[C@@](C)(C1CCC(=C)[C@H]2CCC1=COC=C1)C(O)=O
MolPort-001-740-886 0.77 C[C@@H]1C[C@H]2OC(=O)[C@@]3(C)CCC[C@](C)(C23)C1(O)CCC1=COC=C1
MolPort-002-507-399 0.77 C[C@@H]1C[C@H]2OC(=O)[C@@]3(C)CCC[C@@](C)(C23)[C@@]1(O)CCC1=COC=C1
MCULE-2697615331 0.77 [C@]12(C)CCC[C@@]3(C)[C@]1([H])[C@@]([H])(C[C@@H](C)[C@]2(O)CCC1C=COC=1)OC3=O
MCULE-3765811106 0.77 [C@]12(C)CCC[C@@]3(C)C1[C@@H](C[C@@H](C)[C@]2(O)CCC1C=COC=1)OC3=O
MCULE-5229426506 0.75 C1C(CC(=O)CC1C1=COC=C1)=O
MCULE-2071553510 0.75 CC1(C(C2=COC=C2)CCCC1)O
MCULE-8454318012 0.75 C[C@@]1([C@H](C2=COC=C2)CCCC1)O
MolPort-020-717-436 0.75 O=C1CCCCC1C1=COC=C1
MCULE-2543744138 0.74 [C@@]1(C)(CCC2C=COC=2)[C@@H](CC[C@@]2(C)C(=CCC[C@@]21[H])C)C(O)=O
MolPort-001-742-451 0.74 CC1=CCC[C@@H]2[C@@](C)(CCC3=COC=C3)[C@@H](CC[C@@]12C)C(O)=O
MCULE-6501596414 0.73 C1[C@@]2(C)[C@]([H])(CC[C@]3([H])[C@]2([H])CC[C@@]2(C)[C@]3(O)CC[C@]2(O)C2=COC=C2)C[C@@H](O)C1
MCULE-5222011463 0.73 C[C@]12CC[C@@]3([H])[C@](CC[C@]4([C@]3(C)CC[C@H](O)C4)[H])([H])[C@@]1(O)CC[C@]2(O)C1C=COC=1
MCULE-3993673482 0.73 O=C(C1C2C(C2)CCC1)CC1=COC=C1
MCULE-5930875518 0.73 O=C([C@H]1C[C@@H]2[C@@H](C2)C1)CC1=COC=C1
MCULE-8732175992 0.73 O=C(C12CCCCC1C2)CC1=COC=C1
MCULE-1140818410 0.73 OC(C12CCCC1C2)CC1=COC=C1
MCULE-6397914926 0.73 O=C(C12CCCC1C2)CC1=COC=C1
MCULE-8403216697 0.73 [C@]12(C)CCC[C@](C)(CO)C1CCC(=C)[C@@H]2CCC1C=COC=1
MCULE-1191863719 0.73 O=C(C1CC2C(C2)CC1)CC1=COC=C1
MCULE-9854088421 0.73 COCC1CC(=O)C(C2=COC=C2)C1
MolPort-039-138-786 0.73 C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC(O)CC[C@]34C)[C@]1(O)CCC2(O)C1=COC=C1
MolPort-035-765-992 0.73 C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@]1(O)CC[C@]2(O)C1=COC=C1
MolPort-002-521-523 0.73 C[C@]1(CO)CCC[C@]2(C)[C@@H](CCC3=COC=C3)C(=C)CCC12
MCULE-9946987470 0.72 OC(C1C2(CC2)C1)CC1=COC=C1
MCULE-4040972677 0.72 O=C(C1C2(CC2)C1)CC1=COC=C1
MCULE-9893159386 0.72 O=C(C1CC2(CCC2)C1)CC1=COC=C1
MCULE-8038965129 0.72 O=C(C1=COC=C1)C1CC2(CC2)CCC1
MCULE-9109633403 0.72 OC1(C2=COC=C2)CCC2(CC2)CC1
MCULE-1126479288 0.72 O=C(C1=COC=C1)C1CCC2(CC2)CC1
MolPort-014-266-809 0.71 OC(=O)CCC1=COC=C1
MCULE-6225332803 0.71 OC(CCC1=COC=C1)=O
MCULE-6080533916 0.71 O=C(C1=COC=C1)C1C2(CCOCC2)C1
MCULE-5795558500 0.71 CC1CC(C(CC2=COC=C2)=O)C1
MCULE-8566482277 0.71 CC1CC(C(CC2=COC=C2)O)C1
MCULE-2091960772 0.71 OC(C1=COC=C1)C1CC2C(C2)CC1
MCULE-6750581709 0.71 O=C(C1=COC=C1)C1CC2C(C2)CC1
MCULE-3912736725 0.71 OC1(C2=COC=C2)CC2CC(CC2)C1
MCULE-3709487363 0.71 OC(C1=COC=C1)CC1CC2C(C2)C1
MCULE-9852727082 0.71 O=C(C1=COC=C1)C1C2C(C2)CCC1
MCULE-1325890825 0.71 O=C(C1=COC=C1)[C@H]1C[C@@H]2[C@@H](C2)C1
MCULE-2709347519 0.71 OC(C12CCCCC1C2)C1=COC=C1
MCULE-7795590477 0.71 O=C(C12CCCCC1C2)C1=COC=C1
MCULE-7132126238 0.71 O=C(C1=COC=C1)CC1CC2C(C2)CC1
MCULE-3998445588 0.71 O=C(C1=COC=C1)CC1CC2C(C2)C1
MCULE-5213210898 0.71 O=C(C12CCCC1C2)C1=COC=C1
MolPort-001-742-414 0.70 C[C@@H]1CC[C@]2(C)[C@H](CCC=C2C)[C@]1(CCC1=COC=C1)C(O)=O
MCULE-8513457399 0.70 CC1C(C2=COC=C2)(O)CCCCC1
MCULE-8355241438 0.70 OC(C1=COC=C1)C1CC2(CCC2)C1
MCULE-8775222691 0.70 O=C(C1=COC=C1)C1C(C2CC2)C1
MCULE-7882507511 0.70 OC(C1=COC=C1)C1C(C2CC2)C1
MCULE-2075544876 0.70 O=C(C1=COC=C1)C1CC2(CCC2)C1
MCULE-9355186599 0.70 O=C(C1=COC=C1)C1C2(CC2)C1
MCULE-3454299954 0.70 CC(C1C(C(C2=COC=C2)=O)C1)(C)C
MCULE-8529337417 0.70 CC(C(C1=COC=C1)=O)C1CCC1
MCULE-8299810268 0.70 [C@@]12(C)CC[C@H]([C@@](CCC3C=COC=3)(C(O)=O)[C@@]1([H])CCC=C2C)C
MCULE-7937022278 0.70 CC1C(C2C(O)(C)CCCC2)=COC=1
MCULE-2069554856 0.70 CC1C([C@H]2[C@@](O)(C)CCCC2)=COC=1
MolPort-020-916-125 0.69 OCCCC1=COC=C1
MCULE-9870600375 0.69 OCCCC1=COC=C1
MCULE-9874621553 0.69 OC1(C2=COC=C2)C2(CCCC2)CC1
MolPort-027-616-418 0.68 CC(C)CCC(=O)C1=COC=C1
MCULE-5529720499 0.68 COCC1CC(=O)C(C2C(C)=COC=2)C1
MCULE-5429713177 0.68 [C@@H]1(O)CC2[C@@](C)(CC[C@H]([C@@]2(CCC2=COC=C2)C)C)[C@]2(OC2)[C@H]1O
MolPort-001-741-715 0.68 C[C@@H]1CC[C@]2(C)C(C[C@@H](O)[C@H](O)[C@]22CO2)[C@@]1(C)CCC1=COC=C1
MCULE-4269038755 0.67 CC1CC(C(C2=COC=C2)=O)C1
MCULE-1818179597 0.67 CC1CC(C(C2=COC=C2)O)C1
MCULE-1696593099 0.67 C(C1C=COC=1)(=O)CCC(=O)C
MCULE-6851867554 0.67 O=C(C12COCC1C2)C1=COC=C1
MCULE-4666260273 0.67 O=C(C12COCC1C2)CC1=COC=C1
MCULE-1965766657 0.67 C1C[C@]2([H])[C@@](C)(CCC3C=COC=3)[C@H](C)CC[C@@]2(C)C(C(=O)O)=C1
MolPort-001-742-415 0.67 C[C@@H]1CC[C@]2(C)[C@H](CCC=C2C(O)=O)[C@@]1(C)CCC1=COC=C1
MolPort-038-948-901 0.67 CC1=COC=C1CCCO
MCULE-8161296062 0.66 COC1C(C(C2=COC=C2)=O)C1
MCULE-4225717446 0.66 CC1(C(C=O)(CC2=COC=C2)CCO1)C
MCULE-8019800165 0.66 CC1C(C(C2C3C(C3)CCC2)=O)=COC=1
MCULE-8674522377 0.66 CC1C(C(C23CCCC2C3)=O)=COC=1
MCULE-8125694694 0.66 CC1C(C(C23CCCCC2C3)=O)=COC=1
MCULE-3400752042 0.66 [C@]12(C)CCC[C@](C)(C(N)=O)C1CCC(=C)[C@@H]2CCC1C=COC=1
MCULE-3186189436 0.66 NC1CCC(C(C2=COC=C2)O)CC1
MCULE-5258317673 0.66 CC1C(C(C23CCCC2C3)O)=COC=1
MCULE-2823118780 0.66 CC1C(C(C2CC3C(C3)CC2)=O)=COC=1
MCULE-5480596584 0.66 CC1C(C([C@H]2C[C@@H]3[C@@H](C3)C2)=O)=COC=1
MolPort-002-519-917 0.66 C[C@]12CCC[C@@](C)(C1CCC(=C)[C@@H]2CCC1=COC=C1)C(N)=O
MCULE-2629802808 0.65 CC1(C(C(CC2=COC=C2)=O)CCO1)C
MCULE-3464162637 0.65 CC1C(CC2=COC=C2)C(=O)CO1
MCULE-9845895891 0.65 CC1OC=C(C(CC2CC3C(C3)C2)=O)C=1
MCULE-7668201605 0.65 CC1C(C(C2CC3(CCC3)C2)=O)=COC=1
MCULE-1328502208 0.65 CC1C(C(C2C3(CC3)C2)O)=COC=1
MCULE-7066563845 0.65 CC(C1CCC1)C(C1C(C)=COC=1)O
MCULE-2397284753 0.65 CC(C(C1C(C)=COC=1)=O)C1CCC1
MCULE-9073797944 0.65 CC1C(C(C2C(C(C)(C)C)C2)=O)=COC=1
MCULE-6920696428 0.65 CC1C(C(C2C(C3CC3)C2)O)=COC=1
MCULE-5506761773 0.65 CC1C(C(C2C(C3CC3)C2)=O)=COC=1
MCULE-7573530136 0.65 CC1C(C(C2C3(CC3)C2)=O)=COC=1
MCULE-3151931154 0.65 NC1CC(C(C2=COC=C2)O)CCC1
MCULE-7569569680 0.65 CC(C1=COC=C1)C(C(O)=O)N
MolPort-035-705-915 0.65 CC1(C)CCC[C@]2(C)[C@@H](C[C@@H](O)C3=COC=C3)C(=C)CC[C@@H]12
MolPort-035-705-918 0.65 CC1(C)CCC[C@]2(C)[C@@H](C[C@H](O)C3=COC=C3)C(=C)CC[C@@H]12
MCULE-2199760514 0.64 N[C@H]1[C@@H](C(CC2=COC=C2)=O)CCC1
MCULE-5098226747 0.64 NC1(C(CC2=COC=C2)O)CCCC1
MCULE-8284855914 0.64 NC1C(C(CC2=COC=C2)O)CCC1
MCULE-3722515885 0.64 NC1CC(C(CC2=COC=C2)O)CC1
MCULE-3789825898 0.64 NC1CC(C(CC2=COC=C2)O)C1
MCULE-8249368889 0.64 NC1(C(CC2=COC=C2)O)CCC1
MCULE-5246958225 0.64 CC1(C(CC2=COC=C2)(O)CC1N)C
MCULE-4988072774 0.64 NC1CC(C(CC2=COC=C2)=O)C1
MCULE-5910167477 0.64 NC1CC(CC(C2=COC=C2)O)CC1
MolPort-046-790-786 0.64 Cl.NC(CC1=COC=C1)C(O)=O
MolPort-046-292-009 0.64 NC(CO)CC1=COC=C1
MCULE-9941208449 0.63 CC(C1=COC=C1)(CC1OCCC1)O
MCULE-4771327778 0.63 OC1(C2=COC=C2)CCC(F)(F)CC1
MCULE-2369077542 0.63 CC1(C(C2=COC=C2)=O)C(N)CCCC1
MCULE-9906130531 0.63 NC1(C(C2=COC=C2)O)CCCCC1
MCULE-2824625067 0.63 NC1C(C(C2=COC=C2)O)CCCC1
MCULE-5876703674 0.63 FC1(C2C1CC(C(C1=COC=C1)=O)C2)F
MCULE-1651151806 0.63 COCC1CC(C2=COC=C2)C(O)C1
MCULE-8010061613 0.63 CC1(C(C(C2=COC=C2)=O)CCO1)C
MCULE-8300740369 0.63 OC(C1(CC=CC1)CC1=COC=C1)=O
MCULE-6995918666 0.63 C1CC2C(C(O)CC(C)C2(C)CCC2C=COC=2)(C(=C1)C(O)=O)C
MCULE-6724504153 0.63 C12(CO)CCC(C(C)(CCC3C=COC=3)C1CCC=C2C(O)=O)C
MCULE-7139517527 0.63 C1C[C@]2([H])[C@@](C)(CCC3C=COC=3)[C@H](C)CC[C@@]2(CO)C(C(=O)O)=C1
MCULE-7390761733 0.63 C1C(O)C2(C3CCC4(C(C(C5OC54C3(C)C(OC(C)=O)CC2C(C1OC(=O)C)(C)C)=O)C1=COC=C1)C)C
MCULE-7170772536 0.63 C1C(OC(C)=O)C2(C3CCC4(C(C(C5OC54C3(C)C(OC(C)=O)CC2C(C1O)(C)C)=O)C1=COC=C1)C)C
MCULE-5936918643 0.63 CC(C1(C(C2=COC=C2)=O)CC1)C
MCULE-3288836986 0.63 NC1C(CC(C2=COC=C2)=O)CCC1
MCULE-1403592428 0.63 NCC1C(C(C2=COC=C2)O)CCC1
MCULE-3576525118 0.63 NC[C@H]1C(C(C2=COC=C2)O)CCC1
MCULE-4878248257 0.63 NC1(CCC1)CC(C1=COC=C1)O
MCULE-3812883191 0.63 N[C@H]1[C@H](CC(C2=COC=C2)=O)CCC1
MolPort-005-945-154 0.63 CC1CC(O)C2(C)C(CCC=C2C(O)=O)C1(C)CCC1=COC=C1
MolPort-021-804-610 0.63 CC1CCC2(CO)C(CCC=C2C(O)=O)C1(C)CCC1=COC=C1
MolPort-039-338-295 0.63 C[C@@H]1CC[C@]2(CO)[C@H](CCC=C2C(O)=O)[C@@]1(C)CCC1=COC=C1
MolPort-005-945-093 0.63 CC(=O)OC1CC(O)C(C)(C)C2CC(OC(C)=O)C3(C)C(CCC4(C)C(C(=O)C5OC345)C3=COC=C3)C12C
MolPort-005-945-094 0.63 CC(=O)OC1CC(O)C2(C)C3CCC4(C)C(C(=O)C5OC45C3(C)C(CC2C1(C)C)OC(C)=O)C1=COC=C1
MCULE-4383531473 0.62 OC(C(C#N)CC1=COC=C1)=O
MCULE-1185530395 0.62 CC1OCC(CC2=COC=C2)(O)CC1
MCULE-9394547114 0.62 CC1CC(C(C2C(C)=COC=2)O)C1
MCULE-1188329786 0.62 CC1CC(C(C2C(C)=COC=2)=O)C1
MCULE-3491244011 0.62 CC1C(C(C23COCC2C3)=O)=COC=1
MCULE-4069625126 0.62 NC(C1CCC1)C(C1=COC=C1)O
MCULE-6191759938 0.62 NC1(CCCC1)CC(C1=COC=C1)O
MCULE-8659155902 0.62 CCC1OCC(CC2=COC=C2)(O)C1
MCULE-3372965129 0.62 CC1=C(C(CC2CC3C(C3)C2)=O)C=CO1
MolPort-014-266-765 0.61 NCC(CO)CC1=COC=C1
MolPort-001-740-282 0.61 CC12CC(OC(=O)C1CCC1(C)C2CCC(O)C1(C)O)C1=COC=C1
MCULE-9377960628 0.61 CC1OC(C)=C(C(C23CCCC2C3)=O)C=1
MCULE-4083690918 0.61 CC1OC(C)=C(C([C@H]2C[C@@H]3[C@@H](C3)C2)=O)C=1
MCULE-8412218463 0.61 COC1C(C(C2C(C)=COC=2)=O)C1
MCULE-4213218709 0.61 NC1(C(CC2=COC=C2)O)CC1
MCULE-4995775334 0.61 C1C(O)C(O)(C)C2(C(C1)C1(C)C(CC2)C(=O)OC(C2C=COC=2)C1)C
MCULE-1144755100 0.61 N[C@H]1[C@@H](C(C2=COC=C2)=O)CCC1
MCULE-1577155030 0.61 NC1C(C(C2=COC=C2)O)CCC1
MCULE-1588635657 0.61 NC1(C(C2=COC=C2)=O)CC2(CCC2)C1
MCULE-5321426784 0.61 CC1(C(C2=COC=C2)O)C(N)CCC1
MCULE-8738428211 0.61 NC1C2(CCC2)C(C2=COC=C2)(O)C1
MCULE-7880290975 0.61 CC1OC(C)=C(C(C2C(C3CC3)C2)=O)C=1
MCULE-8692061431 0.61 CC(C(C1=C(C)OC(C)=C1)=O)C1CCC1
MCULE-4216039012 0.61 NC1CC(C(C2=COC=C2)=O)C1
MCULE-6837342366 0.61 C1(=COC=C1)C(N)CC(=O)O
MCULE-1986654534 0.61 NC1CC(C(C2=COC=C2)O)C1
MCULE-2216993745 0.61 CC1OCC(CC2=COC=C2)(O)C1
MCULE-9115543312 0.61 [C@]12(C)CCCC(C)(C(OC)=O)C1CC[C@@H](COC(C)=O)[C@@H]2CCC1C=COC=1C=O
MCULE-3686408141 0.61 CC1C(CC2=COC=C2)C(O)CO1
MolPort-002-523-134 0.61 COC(=O)C1(C)CCC[C@]2(C)[C@@H](CCC3=C(OC=C3)C=O)[C@H](COC(C)=O)CCC12
MolPort-046-684-166 0.60 CC(=O)O[C@@H]1C[C@H](O)[C@@]23CO[C@@H](O)C1(C)[C@@H]2C[C@@H](O)[C@]1(C)[C@@H]3C(=O)[C@H](OC(C)=O)[C@@]2(C)[C@@H](C[C@H]3O[C@@]123)C1=COC=C1
MolPort-020-005-786 0.60 CC(=O)O[C@@H]1C[C@H](O)[C@@]23CO[C@@H](O)[C@]1(C)[C@@H]2C[C@@H](O)[C@]1(C)[C@@H]3C(=O)[C@H](OC(C)=O)[C@@]2(C)[C@@H](C[C@H]3O[C@@]123)C1=COC=C1
MolPort-046-594-385 0.60 CC(=O)OC1CC(O)C23COC(O)C1(C)C2CC(O)C1(C)C3C(=O)C(OC(C)=O)C2(C)C(CC3OC123)C1=COC=C1
MCULE-3099808082 0.60 NC1(CCOCC1)CC(C1=COC=C1)=O
MCULE-9693472400 0.60 [C@]123[C@@H](O)C[C@@H](OC(C)=O)[C@](C)([C@H](O)OC1)[C@]2([H])C[C@@H](O)[C@@]1(C)[C@@]24O[C@@H]2C[C@@H](C2C=COC=2)[C@]4(C)[C@@H](OC(=O)C)C(=O)[C@@]13[H]
MCULE-3006054052 0.60 C[C@]12[C@@]34O[C@]3([H])C[C@@H](C3C=COC=3)[C@]4(C)[C@H](C(=O)[C@@]1([C@@]13[C@](C[C@H]2O)([H])[C@]([C@@H](OC1)O)(C)[C@H](OC(=O)C)C[C@@H]3O)[H])OC(=O)C
MCULE-4812902197 0.60 CC(OC1C2(C)C3CC(O)C4(C)C56OC5CC(C5C=COC=5)C6(C)C(OC(C)=O)C(=O)C4C3(COC2O)C(O)C1)=O
MCULE-8111145982 0.60 CC1CC(C(CC2=COC=C2)N)C1
MCULE-7055252785 0.60 NC1(C(C2=COC=C2)O)CCC1
MCULE-1868501013 0.60 CC(C1CC1)(C(C1=COC=C1)O)N
MCULE-6975797540 0.60 NC(C1CC1)C(C1=COC=C1)O
MCULE-9821693920 0.60 NC(C12CCCC1C2)CC1=COC=C1
MCULE-3430207426 0.60 NC1(CC1)CC(C1=COC=C1)O
MCULE-3547410390 0.60 CC1CC(CC2=COC=C2)(N)C1
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