Table 3.
ADME Properties of selected inhibitors of Nsp9 replicase.
| S. No | Compound | Molecular formula | ADME Properties (Lipinki’s Rule of Five) |
Structure | Drug likeliness | |
|---|---|---|---|---|---|---|
| Properties | Value | |||||
| 1. | Conivaptan | C32H26N4O2 | Molecular weight (<500Da) | 498.57 | ![]() |
Yes |
| LogP (<5) | 5 | |||||
| H-Bond donor (5) | 2 | |||||
| H-bond acceptor (<10) | 3 | |||||
| Violations | 0 | |||||
| 2. | Telmisartan | C33H30N402 | Molecular weight (<500Da) | 514.62 | ![]() |
Yes |
| LogP (<5) | 5.9 | |||||
| H-Bond donor (5) | 1 | |||||
| H-bond acceptor (<10) | 4 | |||||
| Violations | 2 | |||||
| 3. | Phaitanthrin D | C17H12N203 | Molecular weight (<500Da) | 292.29 | ![]() |
Yes |
| LogP (<5) | 1.7 | |||||
| H-Bond donor (5) | 1 | |||||
| H-bond acceptor (<10) | 3 | |||||
| Violations | 0 | |||||
| 4. | Phytosterols | C29H50O | Molecular weight (<500Da) | 414.71 | ![]() |
Yes |
| LogP (<5) | 7.1 | |||||
| H-Bond donor (5) | 1 | |||||
| H-bond acceptor (<10) | 1 | |||||
| Violations | 1 | |||||
| 5. | Withanolide R | C28H38O6 | Molecular weight (<500Da) | 454.60 | ![]() |
Yes |
| LogP (<5) | 3.9 | |||||
| H-Bond donor (5) | 2 | |||||
| H-bond acceptor (<10) | 5 | |||||
| Violations | 0 | |||||
| 6. | Withanolide G | C28H38O5 | Molecular weight (<500Da) | 480.64 | ![]() |
Yes |
| LogP (<5) | 4.1 | |||||
| H-Bond donor (5) | 1 | |||||
| H-bond acceptor (<10) | 6 | |||||
| Violations | 0 | |||||
| 7. | 17-alpha-hydroxywithanolide D | C28H40O7 | Molecular weight (<500Da) | 488.61 | ![]() |
Yes |
| LogP (<5) | 2.1 | |||||
| H-Bond donor (5) | 4 | |||||
| H-bond acceptor (<10) | 7 | |||||
| Violations | 0 | |||||
| 8 | Stigmasta-5, 22-dien-3-ol | C29H48O | Molecular weight (<500Da) | 412.69 | ![]() |
Yes |
| LogP (<5) | 6.9 | |||||
| H-Bond donor (5) | 1 | |||||
| H-bond acceptor (<10) | 1 | |||||
| Violations | 1 | |||||
| 9. | Gedunin | C28H34O7 | Molecular weight (<500Da) | 482.57 | ![]() |
Yes |
| LogP (<5) | 3.7 | |||||
| H-Bond donor (5) | 0 | |||||
| H-bond acceptor (<10) | 7 | |||||
| Violations | 0 | |||||
| 10. | Ciclesonide | C32H44O7 | Molecular weight (<500Da) | 540.69 | ![]() |
Yes |
| LogP (<5) | 4.4 | |||||
| H-Bond donor (5) | 1 | |||||
| H-bond acceptor (<10) | 7 | |||||
| Violations | 1 | |||||
| 11. | Ezetimibe | C24H21F2NO3 | Molecular weight (<500Da) | 409.43 | ![]() |
Yes |
| LogP (<5) | 4.3 | |||||
| H-Bond donor (5) | 2 | |||||
| H-bond acceptor (<10) | 5 | |||||
| Violations | 1 | |||||
| 12 | Meldenin | C28H38O5 | Molecular weight (<500Da) | 454.60 | ![]() |
Yes |
| LogP (<5) | 4.4 | |||||
| H-Bond donor (5) | 1 | |||||
| H-bond acceptor (<10) | 5 | |||||
| Violations | 0 | |||||
| 13 | Magnolol | C18H18O2 | Molecular weight (<500Da) | 266.33 | ![]() |
Yes |
| LogP (<5) | 4.2 | |||||
| H-Bond donor (5) | 2 | |||||
| H-bond acceptor (<10) | 5 | |||||
| Violations | 0 | |||||
| 14 | Pioglitazone | C19H20N2O3S | Molecular weight (<500Da) | 356.44 | ![]() |
Yes |
| LogP (<5) | 3.1 | |||||
| H-Bond donor (5) | 1 | |||||
| H-bond acceptor (<10) | 4 | |||||
| Violations | 0 | |||||
| 15. | Gloriosine | C21H23NO6 | Molecular weight (<500Da) | 385.41 | ![]() |
Yes |
| LogP (<5) | 2.1 | |||||
| H-Bond donor (5) | 1 | |||||
| H-bond acceptor (<10) | 6 | |||||
| Violations | 0 | |||||














