Table 8.
Lipinski rule of five for all synthesized derivatives
| Drug name or code | Molecular formula | Lipinski rule of five |
Violation | |||
|---|---|---|---|---|---|---|
| Molecular weight | HBA | HBD | Log P | |||
| Native ligand (6LU7) | C35H48N6O8 | 680.7 | 9 | 5 | 0.38 | 1 |
| Nelfinavir | C32H45N3O4S | 567.8 | 5 | 4 | 3.20 | 1 |
| Lopinavir | C37H48N4O5 | 628.8 | 5 | 4 | 2.93 | 1 |
| Ivermectin | C47H72O14 | 875.1 | 14 | 3 | 1.25 | 2 |
| Remdesivir | C27H35N6O8P | 602.6 | 12 | 4 | 0.18 | 2 |
| Favipiravir | C5H4FN3O2 | 157.1 | 4 | 2 | − 1.30 | 0 |
| 2a | C16H20N4O2S | 332.4 | 4 | 3 | 1.23 | 0 |
| 2b | C22H24N4O2S | 408.5 | 4 | 3 | 2.39 | 0 |
| 2c | C22H24N4O3S | 424.5 | 5 | 4 | 1.86 | 0 |
| 2d | C22H24N4O3S | 424.5 | 5 | 4 | 1.86 | 0 |
| 2e | C22H24N4O3S | 424.5 | 5 | 4 | 1.86 | 0 |
| 2f | C22H23ClN4O2S | 442.9 | 4 | 3 | 2.87 | 0 |
| 2g | C23H26N4O3S | 438.5 | 5 | 3 | 2.07 | 0 |
| 2h | C25H28N4O2S | 448.5 | 4 | 3 | 2.95 | 0 |