aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD34821 | 0.6 | 263.28 | C11H15O2N6 | CCON(CC)C(=O)CNc1ncnc2c1N=C[N]2 |
|
AD34822 | 0.8 | 236.3 | C11H12O2N2S | O=CN1CCC12CN(C(=O)c1ccsc1)C2 |
|
AD34823 | 0.8 | 236.3 | C11H12O2N2S | O=CN1CC2CC(C1)N2C(=O)c1ccsc1 |
|
AD34824 | 0.66 | 236.3 | C11H12O2N2S | O=CN1CC2(C1)CN(C(=O)c1ccsc1)C2 |
|
AD34825 | -0.59 | 230.24 | C10H15O3N2F | CC(F)C(=O)N1CC2OCCN(C=O)C2C1 |
|
AD34826 | -0.59 | 230.24 | C10H15O3N2F | CC(F)C(=O)N1CC2COCC(C1)N2C=O |
|
AD34827 | 0.43 | 228.27 | C11H17O2N2F | CC(F)C(=O)N1CCCC2(CN(C=O)C2)C1 |
|
AD34828 | -0.59 | 230.24 | C10H15O3N2F | CC(F)C(=O)N1CC2CN(C=O)CC(C1)O2 |
|
AD34829 | 0.43 | 228.27 | C11H17O2N2F | CC(F)C(=O)N1CCC2(CC1)CN(C=O)C2 |
|
AD34830 | 0.26 | 238.62 | C9H9O2N2F2Cl | O=CN1CC2CC(C1)N2C(=O)C(F)(F)Cl |