SANC00117 Neosarracine




Analog ID Simularity score SMILES

Selection options

Mcule | MolPort | All | None
MCULE-3001536995 0.84 [C@]12([H])CCCN1C[C@H](O)[C@@H]2COC(/C(=C\C)/C)=O
MolPort-009-757-738 0.84 OC(C(O)C(O)=O)C(O)=O.C\C=C1/C[C@H](C)[C@H](C)C(=O)OC[C@H]2CCN3CC[C@@H](OC1=O)[C@@H]23
MolPort-046-153-852 0.84 C\C=C(\C)C(=O)OC[C@H]1[C@@H](O)CN2CCC[C@H]12
MolPort-039-338-396 0.81 C\C=C(/C)C(=O)O[C@H]1[C@@H](O)[C@@H]2C[C@@H](C[C@H]1N2C)OC(=O)C(\C)=C\C
MCULE-4354077810 0.81 [C@H]1(O)[C@H]2N(C)[C@H](C[C@@H](OC(=O)/C(=C/C)/C)C2)[C@H]1OC(/C(/C)=C/C)=O
MCULE-4663213110 0.79 C1(=C/C)\C[C@H]([C@@](C)(O)C(=O)OC[C@H]2[C@H](O)CN3CC[C@@H](OC\1=O)[C@@]23[H])C
MCULE-7838408162 0.79 C(O)(C(O)=O)C(O)C(O)=O.C1(=O)C(=CC)CC(C)C(C)(O)C(=O)OCC2CCN3CCC(C32[H])O1
MCULE-1506963069 0.79 C(O)(C(O)=O)C(O)C(O)=O.C1(=O)C(=CC)CC(C)C(C)(O)C(=O)OCC2CCN3CCC(C32)O1
MolPort-039-338-347 0.79 C\C=C1\C[C@@H](C)[C@@](C)(O)C(=O)OC[C@H]2[C@H](O)CN3CC[C@@H](OC1=O)[C@@H]23
MolPort-009-758-408 0.79 OC(C(O)C(O)=O)C(O)=O.C\C=C1\C[C@@H](C)[C@@](C)(O)C(=O)OC[C@H]2CCN3CC[C@@H](OC1=O)[C@@H]23
MolPort-035-813-702 0.79 OC(C(O)C(O)=O)C(O)=O.C\C=C1\CC(C)C(C)(O)C(=O)OCC2CCN3CCC(OC1=O)C23
MolPort-009-653-454 0.79 OC(C(O)C(O)=O)C(O)=O.C\C=C1\C[C@@H](C)C(C)(O)C(=O)OC[C@H]2CCN3CC[C@@H](OC1=O)[C@@H]23
MolPort-039-339-124 0.77 C\C=C1\C[C@@H](C)[C@@](C)(O)C(=O)OC[C@H]2CCN3CC[C@@H](OC1=O)[C@H]23
MolPort-007-549-187 0.77 C\C=C1/CC(C)C(C)(O)C(=O)OCC2CCN3CCC(OC1=O)C23
MolPort-002-527-317 0.77 C\C=C1\C[C@@H](C)[C@@](C)(O)C(=O)OC[C@H]2CCN3CC[C@@H](OC1=O)[C@@H]23
MolPort-039-338-352 0.77 C\C=C1/C[C@@H](C)[C@@](C)(O)C(=O)OC[C@H]2CCN3CC[C@@H](OC1=O)[C@@H]23
MolPort-001-970-710 0.77 C\C=C1\CC(C)C(C)(O)C(=O)OCC2CCN3CCC(OC1=O)C23
MolPort-006-111-401 0.77 C\C=C1\C[C@H](C)[C@@](C)(O)C(=O)OC[C@H]2CCN3CC[C@@H](OC1=O)[C@@H]23
MCULE-2453824717 0.77 C1(=O)C(=CC)C[C@@H](C)[C@@](C)(O)C(=O)OC[C@H]2CCN3CC[C@H]([C@]32[H])O1
MCULE-1098347199 0.77 C1(=C/C)/C[C@H]([C@@](C)(O)C(=O)OC[C@H]2CCN3CC[C@@H](OC/1=O)[C@@]23[H])C
MCULE-7322741531 0.77 C1(=C/C)\C[C@H]([C@@](C)(O)C(=O)OC[C@H]2CCN3CC[C@@H](OC\1=O)[C@@]23[H])C
MCULE-9542568510 0.77 C1(=C/C)\C[C@H]([C@@](C)(O)C(=O)OC[C@H]2CCN3CC[C@@H](OC\1=O)[C@]23[H])C
MCULE-3408134534 0.77 [C@]12([C@@]3([H])COC(=O)[C@](C)(O)[C@@]([H])(C)CC(=CC)C(=O)O[C@]1([H])CCN2CC3)[H]
MCULE-8392481784 0.77 C12(C3([H])COC(=O)C(C)(O)C([H])(C)CC(=CC)C(=O)OC1([H])CCN2CC3)[H]
MolPort-044-754-045 0.74 C[C@@H]1C\C(C)=C/C(=O)O[C@@H]2CCN3CC[C@H](COC(=O)[C@]1(C)O)[C@H]23
MCULE-1653653200 0.74 OC[C@@]12NCC[C@@H]1C(=O)OC2
MCULE-8030008242 0.73 [C@@H]1(C)[C@H](C)[C@](O)(C)C(=O)OC[C@H]2CCN3CC[C@@H](OC1=O)[C@@]23[H]
MCULE-2505880600 0.73 OC[C@@]12NCC[C@@H]1C(=O)OC2.Cl
MolPort-039-338-348 0.73 C[C@@H]1[C@H](C)[C@@](C)(O)C(=O)OC[C@H]2CCN3CC[C@@H](OC1=O)[C@@H]23
MolPort-046-674-164 0.73 Cl.OC[C@]12COC(=O)[C@H]1CCN2
MolPort-002-511-976 0.72 CC1CN(CC2[C@H]3C4OC44[C@@H](C)CCC[C@]4(C)C[C@H]3OC2=O)CC(C)O1
MolPort-044-722-541 0.72 CC(C)C(O)(C(C)O)C(=O)OC1CCN2CCCC12
MCULE-9482753335 0.72 C(=O)(OC1CCN2CCCC21)C(O)(C(C)C)C(C)O
MCULE-1328502038 0.72 C(O[C@@H]1C[C@@H]2N(C)[C@@H](CC2)C1)(=O)/C(/C)=C/C
MCULE-4226767409 0.72 N1(C)C2CCC1CC(OC(/C(/C)=C/C)=O)C2
MCULE-5741931390 0.72 N1(C)C2CCC1CC(OC(/C(/C)=C\C)=O)C2
MolPort-006-111-467 0.72 C\C=C(/C)C(=O)O[C@H]1C[C@@H]2CC[C@H](C1)N2C
MolPort-002-516-478 0.72 C[C@@H]1C[C@@H]2OC(=O)C(CN3CCOCC3)[C@H]2[C@H](O)[C@]2(C)[C@H](C[C@H](OC(C)=O)C12)OC(C)=O
MolPort-044-754-029 0.72 C\C=C(/C)C(=O)OC1CC2CCC(C1)N2C
MolPort-046-153-866 0.72 C\C=C(\C)C(=O)OC1CC2CCC(C1)N2C
MolPort-044-754-020 0.71 CC(=O)O[C@@H]1C[C@@H]2N[C@H]1CC[C@H]2O
MCULE-9470084264 0.71 [C@H]1(OC(C)=O)[C@@H]2CC[C@@H](O)[C@@H](N2)C1
MCULE-5706880350 0.71 C1[C@]2(C)C[C@@H](C)[C@@](C)(O2)C(=O)OC[C@H]2CCN3CC[C@@H](OC1=O)[C@@]23[H]
MCULE-9168847239 0.71 CCCC(=O)O[C@H]1[C@H](O)[C@@H](O)[C@@]2([H])N(CC[C@H]2O)C1
MCULE-2974917831 0.71 C(CCC)(=O)O[C@H]1CN2CC[C@H](O)[C@]2([H])[C@@H](O)[C@@H]1O
MolPort-005-943-127 0.71 CCCC(=O)O[C@H]1CN2CC[C@H](O)[C@@H]2[C@@H](O)[C@@H]1O
MolPort-046-153-835 0.71 C[C@@H]1C[C@@]2(C)CC(=O)O[C@@H]3CCN4CC[C@H](COC(=O)[C@]1(C)O2)[C@H]34
MolPort-002-510-187 0.71 C[C@@H]1C[C@@H]2OC(=O)C(CN3CCOCC3)[C@H]2[C@H](OC(C)=O)[C@]2(C)[C@@H](O)C[C@H](OC(C)=O)C12
MolPort-046-736-477 0.70 CC(C)(C)OC(=O)[C@]12COC[C@@H]1NCCC2
MolPort-046-417-126 0.70 Cl.CCCC(=O)O[C@H]1CN2CC[C@H](O)[C@@H]2[C@@H](O)[C@@H]1O
MCULE-5504260229 0.70 O=C1OC2C(NCCC2)C1
MCULE-6829582666 0.70 Cl[H].C(CCC)(=O)O[C@H]1CN2CC[C@H](O)[C@]2([H])[C@@H](O)[C@@H]1O
MCULE-7372965018 0.70 C(O[C@H]1C[C@@]2([H])N(C)[C@]1([H])C[C@@H](O)C2)(=O)C
MCULE-6360711273 0.70 C(O[C@H]1C[C@@]2([H])N(C)[C@]1([H])C[C@@H](O)C2)(=O)C.C(O)(=O)C
MCULE-4826245259 0.70 OC1CC2N(C)C(CC2OC(=O)C)C1
MolPort-038-941-695 0.70 CN1C2CC(OC(C)=O)C1CC(O)C2
MolPort-002-531-325 0.70 COCC1CCCN1CC1[C@H]2CC3C4(CO4)CCC[C@]3(C)C[C@H]2OC1=O
MolPort-027-717-778 0.69 Cl.CC=CC(=O)OC[C@@H]1CCCN2CCCC[C@H]12
MolPort-000-748-737 0.69 [Cl-].C\C=C\C(=O)OC[C@@H]1CCC[NH+]2CCCC[C@H]12
MCULE-6486625271 0.69 [C@H]1(COCC[C@@H]1OC/C=C(\C)/C)NC1CCOCC1
MCULE-8007991830 0.69 N1(C)C2CCC1CC(OC(=O)CCN1CCOCC1)C2
MCULE-3592998988 0.69 CN1C(C)(C)CC2(OC(=O)CC2)C1
MolPort-038-397-907 0.69 CC(C)=CCO[C@H]1CCOC[C@H]1NC1CCOCC1
MolPort-000-917-836 0.69 CN1C2CCC1CC(C2)OC(=O)CCN1CCOCC1
MolPort-002-512-509 0.69 CC1CN(CC2[C@H]3CC4C5(CO5)CCC[C@]4(C)C[C@H]3OC2=O)CC(C)O1
MolPort-002-532-611 0.69 COCC1CCCN1CC1[C@H]2CC3C(=C)CCC[C@]3(C)C[C@H]2OC1=O
MolPort-002-510-536 0.69 C[C@@]12OC1C[C@@H]1[C@H]2[C@H]2OC(=O)C(CN3CCOCC3)[C@@H]2CCC1=C
MolPort-000-837-516 0.68 Cl.Cl.CN1C2CCC1CC(C2)OC(=O)CCN1CCOCC1
MolPort-035-681-744 0.68 CN1C2CC(OC(C)=O)C1CC(=O)C2
MolPort-002-509-999 0.68 CC1CN(CC2[C@H]3C[C@H]4C(=C)CCC[C@]4(C)C[C@H]3OC2=O)CC(C)O1
MCULE-4712401568 0.68 Cl.Cl.N1(C)C2CCC1CC(OC(=O)CCN1CCOCC1)C2
MCULE-5745558790 0.68 C1(=O)OCC2NCCCC12
MCULE-2781218490 0.68 N12CCOC(CCC(=O)OC(CC1(C)C)CC2(C)C)=O
MolPort-002-517-235 0.68 CCC(CO)NCC1[C@H]2[C@@H]3O[C@@]33[C@@H](C)CCC[C@]3(C)C[C@H]2OC1=O
MolPort-002-513-705 0.68 COC(CNCC1[C@H]2[C@@H]3O[C@@]33[C@@H](C)CCC[C@]3(C)C[C@H]2OC1=O)OC
MolPort-002-513-534 0.68 COC(CN(C)CC1[C@H]2[C@@H]3O[C@@]33[C@@H](C)CCC[C@]3(C)C[C@H]2OC1=O)OC
MolPort-029-929-486 0.67 CC(=C)COCCNC1C2CCOC2C11CCCC1
MolPort-046-657-760 0.67 CC(C)(C)OC(=O)C1NCCC1C1CCCO1
MolPort-039-338-825 0.67 CCC1C2OC(=O)C(C)C2C2CC(C3CC(C)C(=O)O3)N3CCCCC1C23
MolPort-035-705-684 0.67 CC[C@H]1[C@H]2OC(=O)[C@@H](C)[C@H]2[C@@H]2C[C@@H]([C@@H]3C[C@H](C)C(=O)O3)N3CCCC[C@H]1[C@H]23
MolPort-046-651-718 0.67 CCOC(=O)C1NCCC1C1CCCO1
MolPort-003-873-355 0.67 CC[C@H]1[C@@H]2OC(=O)[C@@H](C)[C@@H]2[C@H]2C[C@@H]([C@@H]3C[C@H](C)C(=O)O3)N3CCCC[C@H]1[C@H]23
MolPort-009-758-530 0.67 OC(=O)C(O)=O.COCC1CCCN1CC1[C@H]2CC3C4(CO4)CCC[C@]3(C)C[C@H]2OC1=O
MolPort-038-419-980 0.67 COCC1(CCC1)C(=O)N[C@@H]1COCC[C@@H]1OCC=C(C)C
MolPort-046-788-534 0.67 CC1C(=O)OCC2CC[N+]3([O-])CCC(OC(=O)C(C)(O)C1(C)O)C23
MCULE-6346137087 0.67 CC(COCCNC1C2(CCCC2)C2C1CCO2)=C
MCULE-3698049960 0.67 C1C[C@]2([H])[C@@H](CC)[C@]3([H])OC(=O)[C@@H](C)[C@]3([H])[C@@]3([H])C[C@@]([H])([C@]4([H])C[C@H](C)C(=O)O4)N([C@]23[H])CC1
MCULE-2234824021 0.67 C1C[C@]2([H])[C@@H](CC)[C@@]3([H])OC(=O)[C@@H](C)[C@@]3([H])[C@]3([H])C[C@@]([H])([C@]4([H])C[C@H](C)C(=O)O4)N([C@]23[H])CC1
MCULE-4190733223 0.67 C1CC2C(CC)C3OC(=O)C(C)C3C3CC(C4CC(C)C(=O)O4)N(C23)CC1
MCULE-4995633237 0.67 O=C1O[C@]2([H])[C@]([C@@]3([C@]4([C@]([C@H]2CC)([H])CCCCN4[C@H]([C@H]2OC(=O)[C@@H](C)C2)C3)[H])[H])([H])[C@@H]1C
MCULE-4320764047 0.67 C(=O)(N[C@@H]1COCC[C@@H]1OC/C=C(\C)/C)C1(CCC1)COC
MCULE-6957071691 0.67 COC([C@H]1[C@@H]2[C@@H](CNC2)OC1)=O
MCULE-4307048516 0.67 [C@]123C[C@@]4([C@@](O)(C[C@@H]([C@]5(O)[C@]([C@]6([H])CC[C@]([H])(C)CN6C[C@]54[H])(C)O)O)[C@]1([H])CC[C@@]1([C@](O)([C@H](CC[C@]21C)OC(=O)C(C)=CC)O3)[H])O
MCULE-9550261096 0.67 CC(OCCN1C2C(C(OC(C)(C)C)=O)CC1CC2)(C)C
MCULE-8134142567 0.67 COC(C1C2(CNCC2)OCC1O)=O
MCULE-1784214054 0.67 O=C1C2(CCC2)CC(CN2CC3(CCCC3)COCC2)O1
MCULE-2868704165 0.67 [N+]12(CCCC[C@]1([H])[C@@H](CCC2)COC(=O)C(C)=C)C
MolPort-002-513-569 0.67 C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)C(CN4CCCCC4CO)[C@H]3[C@@H]3O[C@]123
MolPort-002-514-906 0.67 C[C@]12CCCC(=C)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)C1CN1CCOCC1
MolPort-002-511-364 0.67 CC(=C)C(=O)OC[C@@H]1CCC[N+]2(C)CCCC[C@H]12
MolPort-044-459-851 0.67 O=C1OC(CN2CCOCC3(CCCC3)C2)CC11CCC1
MolPort-002-513-682 0.67 C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)C(CN4CCCC4)[C@H]3[C@@H]3O[C@]123
MolPort-039-290-059 0.67 CC(C)(C)OCCN1C2CCC1C(C2)C(=O)OC(C)(C)C
MolPort-046-153-857 0.66 C\C=C(/C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)C(O)(C(C)C)[C@H](C)O)[C@H]12
MolPort-046-153-856 0.66 C\C=C(\C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)C(O)(C(C)C)[C@H](C)O)[C@H]12
MolPort-046-153-854 0.66 C\C=C(\C)C(=O)O[C@H]1CCN2CC=C(COC(=O)C(O)([C@H](C)O)C(C)(C)O)[C@H]12
MolPort-046-153-860 0.66 C\C=C(\C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)C(O)([C@H](C)O)C(C)(C)O)[C@H]12
MolPort-046-153-844 0.66 C\C=C(\C)C(=O)O[C@@H]1CCN2CC=C(CO)[C@H]12
MolPort-002-516-418 0.66 C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)C(CNCCN4CCOCC4)[C@H]3[C@@H]3O[C@]123
MolPort-045-990-430 0.66 CCOC(=O)C(CCCN1CC(C)(C)[C@@H]2COC[C@H]12)C(=O)OCC
MolPort-030-033-274 0.66 CC1(C)CC(NCCC2CCOC2=O)C(C)(C)O1
MolPort-046-675-193 0.66 Cl.COC(=O)[C@@H]1CO[C@@H]2CNC[C@H]12
MCULE-4162384918 0.66 CCCCCCC(C(OC)=O)(CN1CC2(CCOCC2)OCC1)O
MCULE-7153043833 0.66 CCOC1CC2(CN(CC3OC(=O)C4(CC4)C3)CC2)C1
MCULE-6419923595 0.66 [C@@]12([H])[C@@H](OC(/C(/C)=C\C)=O)CCN1CC=C2COC([C@](O)(C(O)(C)C)[C@@H](O)C)=O
MCULE-8649403820 0.66 [C@@]12([H])[C@H](OC(=O)/C(=C/C)/C)CCN1CC=C2COC([C@](O)(C(C)C)[C@@H](O)C)=O
MCULE-3606301433 0.66 [C@@]12([H])[C@H](OC(/C(/C)=C\C)=O)CCN1CC=C2COC([C@](O)(C(C)C)[C@@H](O)C)=O
MCULE-9812195195 0.66 [C@@]12([H])[C@H](OC(=O)/C(=C\C)/C)CCN1CC=C2COC([C@@](O)(C(O)(C)C)[C@@H](O)C)=O
MCULE-4619423063 0.66 C/C=C(\C)/C(=O)O[C@@H]1[C@H]2N(CC=C2COC(=O)[C@@]([C@H](C)O)(O)C(C)(O)C)CC1
MCULE-8509255158 0.66 [C@@]12([H])[C@H](OC(=O)/C(=C\C)/C)CCN1CC=C2CO
MCULE-2878692561 0.66 Cl.COC([C@H]1[C@@H]2[C@@H](CNC2)OC1)=O
MCULE-2449910899 0.66 CCOC(C(C(OCC)=O)CCCN1[C@@H]2[C@@H](COC2)C(C)(C)C1)=O
MCULE-6634764110 0.66 CC1(OC(C)(C)C(NCCC2C(=O)OCC2)C1)C
MCULE-4287832566 0.66 COC(C1C2(CN(C)CC2)OCC1=O)=O
MCULE-2577773053 0.66 O=C1CCC2(CCCNC2)O1
MCULE-3636847680 0.66 [I-].[N+]12(CCCC[C@]1([H])[C@@H](CCC2)COC(=O)C(C)=C)C
MCULE-2185301863 0.66 [C@@]12([H])[C@@H](OC(=O)/C(=C\C)/C)CCN1CC=C2COC([C@@](O)(C(O)(C)C)[C@@H](OC)C)=O
MCULE-1427730692 0.66 [C@@H]1(C)[C@@](C)(O)[C@H](C)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@]23[H]
MolPort-008-346-707 0.66 C[C@@H]1C[C@H]2C(CN3CCC(C)CC(C)(C)C3)C(=O)O[C@@H]2C2[C@@H]3O[C@]3(C)CC[C@@H]12
MolPort-000-738-299 0.66 [I-].CC(=C)C(=O)OC[C@@H]1CCC[N+]2(C)CCCC[C@H]12
MolPort-002-524-376 0.66 CO[C@@H](C)[C@](O)(C(=O)OCC1=CCN2CC[C@H](OC(=O)C(\C)=C/C)[C@@H]12)C(C)(C)O
MolPort-046-153-846 0.66 CO[C@@H](C)C(O)(C(=O)OCC1=CCN2CC[C@H](OC(=O)C(\C)=C/C)[C@@H]12)C(C)(C)O
MolPort-046-153-837 0.66 C[C@@H]1C(=O)OCC2=CCN3CC[C@@H](OC(=O)[C@H](C)[C@@]1(C)O)[C@@H]23
MolPort-002-513-462 0.66 CC(C)CNCC1[C@H]2[C@@H]3O[C@@]33[C@@H](C)CCC[C@]3(C)C[C@H]2OC1=O
MolPort-002-513-380 0.66 C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)C(CNCCCO)[C@H]3[C@@H]3O[C@]123
MolPort-042-603-453 0.66 CCCCCCC(O)(CN1CCOC2(CCOCC2)C1)C(=O)OC
MolPort-002-521-989 0.65 CC1CN(CC2[C@@H]3CC[C@@H](C)[C@@H]4CC[C@@]5(C)O[C@H]5[C@]34OC2=O)CC(C)O1
MolPort-002-515-528 0.65 C[C@@]12OC1C[C@@H]1[C@H]2[C@H]2OC(=O)C(CN3CCCC3)[C@@H]2CCC1=C
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MolPort-038-402-390 0.65 CC(C)=CCO[C@H]1CCOC[C@H]1NC(=O)C1(CO)CC1
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