Table 3.
Drug-likeness of photoproducts predicted using Lipinski’s rule of five and Veber’s rule.
Compound | MW (g/mol) | HBA | HBD | LogP(o/w) | TPSA (Å2) | N_rotB | Veber’s rule violations | Lipinski’s rule violations |
---|---|---|---|---|---|---|---|---|
Mesoridazine | 386.57 | 2 | 0 | 4.09 | 68.06 | 4 | No | No |
Sulforidazine | 402.57 | 3 | 0 | 4.13 | 74.30 | 4 | No | No |
Thioridazine-5-sulfoxide | 386.57 | 2 | 0 | 4.12 | 68.06 | 4 | No | No |
Thioridazine N-desmethyl |
370.57 | 1 | 0 | 5.03 | 57.08 | 4 | No | 1 |