Table 10.
In silico the physicochemical properties of the two pyrazole Schiff bases (8a and 9b) and the reference drugs for Lipinski’s rule of five and Veber filter:-.
| Schiff Bases and the Reference | MW | MLogP | nHBA | nHBD | nRB | TPSA | Violations fromLipinski’s Rule | Violations from Veber Filter |
|---|---|---|---|---|---|---|---|---|
| Rule | <500 | ≤4.15 | ≤10 | ≤5 | ≤10 | ≤140 Å2 | Yes; 0 or 1 violation | Yes; 0 violation |
| 8a | 418.49 | 2.86 | 4 | 3 | 7 | 108.63 | Yes; 0 violation | Yes; 0 violation |
| 9b | 501.53 | 2.73 | 7 | 3 | 11 | 119.09 | Yes; 1 violation: MW > 500 |
No; 1 violation: Rotors > 10 |
| Norfloxacin | 319.33 | 1.04 | 5 | 2 | 3 | 74.57 | Yes; 0 violation | Yes; 0 violation |
| Ciprofloxacin | 331.34 | 1.28 | 5 | 2 | 3 | 74.57 | Yes; 0 violation | Yes; 0 violation |
| Trimethoprim | 290.32 | 0.41 | 5 | 2 | 5 | 105.51 | Yes; 0 violation | Yes; 0 violation |