aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD41101 | 1.72 | 220.27 | C12H16O2N2 | COC(=O)CC(c1ccnc(N)c1)C1CC1 |
|
AD41102 | 2.3 | 219.68 | C12H10N3Cl | Nc1cc(Cl)nc(Cc2ccccc2)n1 |
|
AD41103 | 1.87 | 239.28 | C14H13ON3 | Nc1ncccc1C(=O)N1CCc2ccccc21 |
|
AD41104 | 1.91 | 215.04 | C9H4N4Cl2 | Nc1nc(Cl)nc2c(Cl)nccc12 |
|
AD41105 | 2.4 | 213.01 | C8H4N2F2Cl2 | NC(F)(F)c1cc(Cl)cnc1Cl |
|
AD41106 | 2.52 | 214.06 | C10H5N3Cl2 | Nc1nc(Cl)nc2cc(Cl)ccc12 |
|
AD41107 | 1.65 | 237.65 | C11H8O2N3Cl | COC(=O)c1ccc2nc(Cl)c(N)nc2c1 |
|
AD41108 | 2.4 | 219.31 | C11H13N3S | CC1CCc2c(sc3ncnc(N)c23)C1 |
|
AD41109 | 2.46 | 219.31 | C11H13N3S | Cc1nc(N)c2c3c(sc2n1)CCCC3 |
|
AD41110 | 1.61 | 212.26 | C12H12N4 | Nc1nc(-c2cccnc2)nc2c1CCC2 |