aglycones
| Molecular_Structure | AD id | AlogP | MolWeight | MolFormula | Smiles |
|---|---|---|---|---|---|
|
AD40051 | 0.78 | 286.17 | C6H8O3NS2Br | O=S(=O)(NCCO)c1ccc(Br)s1 |
|
AD40052 | 1.86 | 273.32 | C13H11O2N3S | Nc1ccc2ccn(S(=O)(=O)c3ccccc3)c2n1 |
|
AD40053 | 2.23 | 280.32 | C13H13O2N2FS | CN(c1cc(F)ccc1N)S(=O)(=O)c1ccccc1 |
|
AD40054 | 1.83 | 273.08 | C8H8N3I | Cc1cn2ccc(I)c(N)c2n1 |
|
AD40055 | 1.82 | 271.06 | C8H6N3I | Nc1ncc(I)c2ncccc12 |
|
AD40056 | 2.47 | 281.31 | C13H12O3NFS | O=S(=O)(Cc1ccc(F)cc1)Nc1ccc(O)cc1 |
|
AD40057 | 1.49 | 284.75 | C13H17O2N4Cl | CCOC(=O)C1CCN(c2cnnc(Cl)c2N)CC1 |
|
AD40058 | 1.88 | 277.35 | C13H15O2N3S | CCN(c1ccccc1)S(=O)(=O)c1ccc(N)nc1 |
|
AD40059 | 2.95 | 264.33 | C16H16N4 | CN(C)c1ccc(-c2nc(N)c3ccccc3n2)cc1 |
|
AD40060 | 1.58 | 266.1 | C10H8ON3Br | Nc1c(Br)cnn(-c2ccccc2)c1=O |