Table 3.
Lipinski’s rule of five for ADME analysis of our inhibitors (ligands).
| No. | Name | Lipinski’s Rule of Five |
Drug-likeness | ||||
|---|---|---|---|---|---|---|---|
| Molecular weight (g/mol) | Lipophilicity (MLogP) |
Hydrogen bond donors | Hydrogen bond acceptors | No. of Rule Violations | |||
| Less than 500 Da | Less than 5 | Less than 5 | Less than 10 | Less than 2 violations | Lipinski’s rule follow | ||
| 13. | Allicin | 162 | 1.18 | 0 | 1 | 0 | Yes |
| 11. | Benzapril | 424 | 2.23 | 2 | 6 | 0 | Yes |
| 10. | Captopril | 217 | 0.45 | 1 | 3 | 0 | Yes |
| 6. | Cilizapril | 417 | 1.79 | 2 | 7 | 0 | Yes |
| 8. | Enalapril | 376 | 1.32 | 2 | 6 | 0 | Yes |
| 2. | Fosinopril | 563 | 3.74 | 1 | 7 | 0 | Yes |
| 5. | Lisinopril | 405 | −1.46 | 4 | 7 | 0 | Yes |
| 3. | Moexipril | 498 | 1.54 | 2 | 8 | 0 | Yes |
| 12. | Perindopril | 368 | 1.36 | 2 | 6 | 0 | Yes |
| 4. | Quinapril | 438 | 2.17 | 2 | 6 | 0 | Yes |
| 9. | Ramipril | 416 | 1.98 | 2 | 6 | 0 | Yes |
| 1. | Teprotide | 1101 | −3.11 | 10 | 13 | 3: MW > 500, NH or OH > 5, N or O > 10, 1: MW > 500 |
No |
| 7. | Trandolapril | 430 | 2.19 | 2 | 6 | 0 | Yes |