Aglycone
AD44000
Formula: C16H16O3N2S
Smiles:
Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)O| HBA: | 5 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.31 |
| AlogP: | 3.72 | Num_rotatable_bonds: | 5 |
| MolWt: | 316.38 | Num_heavy_atoms: | 22 |
| TPSA: | 83.21 | NumAromaticRings: | 2 |