aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD42391 | 2.12 | 331.38 | C15H15O3N4S | COc1cc(C)c(S(=O)(=O)Nc2ncnc3c2C=C[N]3)c(C)c1 |
|
AD42392 | 2.87 | 337.42 | C15H15O4NS2 | COC(=O)c1cccc(C)c1S(=O)(=O)Nc1ccc(S)cc1 |
|
AD42393 | 3.12 | 310.38 | C16H14ON4S | Cc1cc(C(=O)Nc2ccc(S)cc2)nn1-c1ccncc1 |
|
AD42394 | 2.43 | 339.76 | C14H9O2N4FClS | O=S(=O)(Cc1ccc(Cl)c(F)c1)Nc1ncnc2c1C=C[N]2 |
|
AD42395 | 2.81 | 296.36 | C15H12ON4S | O=C(Nc1ccc(S)cc1)c1cncn1-c1ccncc1 |
|
AD42396 | 1.48 | 353.47 | C21H27O2N3 | O=C(NCCO)C1CN(Cc2ccccc2)CCN1Cc1ccccc1 |
|
AD42397 | 1.71 | 291.44 | C15H23N4S | Cc1sc2nc(C[NH+]3CCC(C)CC3)nc(N)c2c1C |
|
AD42398 | 0.3 | 311.41 | C19H23O2N2 | O=C(NCCO)C1Cc2ccccc2C[NH+]1Cc1ccccc1 |
|
AD42399 | 1.55 | 295.41 | C19H23ON2 | CC1C(CC(N)=O)C[NH+]1C(c1ccccc1)c1ccccc1 |
|
AD42400 | 0.54 | 313.37 | C16H23O2N2F2 | CC(c1ccccc1)[NH+]1CCC(F)(F)CC1C(=O)NCCO |