aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD35001 | 0.73 | 220.23 | C10H12O2N4 | CCOC(=O)c1nc(N)c2c(ccn2C)n1 |
|
AD35002 | 0.95 | 215.64 | C9H10O2N3Cl | CON(C)C(=O)c1cc(N)nc(Cl)c1 |
|
AD35003 | 0.45 | 236.28 | C11H16O2N4 | COC(=O)C1CCN(c2ccc(N)nn2)CC1 |
|
AD35004 | 1.53 | 236.6 | C9H7O2N2F2Cl | COC(=O)c1cc(Cl)nc(C(N)(F)F)c1 |
|
AD35005 | 0.69 | 229.31 | C9H15O2N3S | CCN(CC)S(=O)(=O)c1ccc(N)nc1 |
|
AD35006 | 0.45 | 227.29 | C9H13O2N3S | Nc1ccc(S(=O)(=O)N2CCCC2)cn1 |
|
AD35007 | 0.45 | 227.29 | C9H13O2N3S | Nc1ncccc1S(=O)(=O)N1CCCC1 |
|
AD35008 | 0.99 | 215.64 | C9H10O2N3Cl | COC(=O)C(C)c1c(N)ncnc1Cl |
|
AD35009 | 1.31 | 216.03 | C8H3N5Cl2 | Nc1nc(Cl)nc2c(Cl)ncnc12 |
|
AD35010 | 1.53 | 236.6 | C9H7O2N2F2Cl | COC(=O)c1cnc(Cl)c(C(N)(F)F)c1 |