aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD04711 | 1.48 | 268.27 | C15H12O3N2 | O=C1NC(=O)C(c2ccccc2)(c2ccc(O)cc2)N1 |
|
AD04712 | 4.21 | 482.62 | C28H38O5N2 | COC12C=CC(C)(O1)C(OC(=O)C=Cc1cn(C)cn1)CC1C(C)=CCC(C(C)C)C1C=C2CO |
|
AD04713 | 1.08 | 79.1 | C5H5N | c1ccncc1 |
|
AD04714 | 0.8 | 608.64 | C32H36O10N2 | COC1(C(=O)O)CC(O)C(NC(=O)CO)C(C(O)C(O)CNC(=O)CCCc2cc3cccc4ccc5cccc2c5c43)O1 |
|
AD04715 | -0.17 | 190.98 | C4H3O2N2Br | O=c1[nH]cc(Br)c(=O)[nH]1 |
|
AD04716 | 2.85 | 546.47 | C27H20O10N3 | Cc1c(C(=O)Nc2c([O-])c3ccc(O)c(C)c3oc2=O)c[nH]c1C(=O)Nc1c(O)c2ccc(O)c(C)c2oc1=O |
|
AD04717 | 3.48 | 276.3 | C17H12O2N2 | Cc1ccc(-c2cc(-c3ccco3)c(C#N)c(=O)[nH]2)cc1 |
|
AD04718 | 3.34 | 265.32 | C14H9N4S | Nc1ncnc2c1-c1c(cccc1-c1ccsc1)[N]2 |
|
AD04719 | 2.29 | 207.66 | C11H10N3Cl | Cc1cn(Cc2ccccc2Cl)nn1 |
|
AD04720 | 3.42 | 1215.62 | C61H59O18N8Cl | CNC(CC(C)C)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)C(O)c3ccc(c(-c4ccc(OC)cc4)c3)Oc3cc2cc(c3O)Oc2ccc(cc2Cl)C1O |