aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD13911 | 8.02 | 682.75 | C36H31O2N7F3S | Nc1sc(-c2cccc(C(=O)NCCCCCCNc3ncnc4c3N=C[N]4)c2)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1 |
|
AD13912 | 1.03 | 289.28 | C11H7O3N5S | O=S(=O)([O-])c1ccc(Nc2ncnc3c2N=C[N]3)cc1 |
|
AD13913 | 8.02 | 682.75 | C36H31O2N7F3S | Nc1sc(-c2ccccc2C(=O)NCCCCCCNc2ncnc3c2N=C[N]3)c(-c2cccc(C(F)(F)F)c2)c1C(=O)c1ccccc1 |
|
AD13914 | 1.3 | 220.28 | C9H10N5S | C1=Nc2c(ncnc2NC2CCSC2)[N]1 |
|
AD13915 | 4.43 | 302.81 | C18H19ON2Cl | Clc1ccccc1Cc1ccc(OC2CCCCC2)nn1 |
|
AD13916 | 6.73 | 500.76 | C32H52O4 | CCOC(C)(C)C1OC23CC4(C)C5CCC6C(C)(C)C(O)CCC67CC57CCC4(C)C2C(C)CC1O3 |
|
AD13917 | 6.0 | 510.72 | C32H46O5 | CC(=O)OC1CC23CC24CCC(O)C(C)(C)C4CC=C3C2(C)CC3OC(C(=O)C(C)C)=CC(C)C3C12C |
|
AD13918 | 1.48 | 332.66 | C11H12O4N5PCl | O=P(O)(O)OC1CCCC1Nc1nc(Cl)nc2c1N=C[N]2 |
|
AD13919 | 5.5 | 290.49 | C20H34O | C=CC(C)(O)CCC1C(=C)CCC2C(C)(C)CCCC12C |
|
AD13920 | 4.88 | 1417.92 | C74H77O18N10Cl | CNC(CC(C)C)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)NCc4ccc(-c5ccccc5)cc4)c4cc(O)cc(O)c4-c4cc3ccc4O)C(OC3CC(C)(N)C(O)C(C)O3)c3ccc(cc3)Oc3cc2cc(c3O)Oc2ccc(cc2Cl)C1O |