Aglycone
AD00646
Formula: C16H16O2N2S
Smiles:
COc1ccc(C2C(C#N)=C(S)NC(C)=C2C(C)=O)cc1| HBA: | 4 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 2.91 | Num_rotatable_bonds: | 3 |
| MolWt: | 300.38 | Num_heavy_atoms: | 21 |
| TPSA: | 62.12 | NumAromaticRings: | 1 |