Table 1.
Physicochemical properties of the selected compounds *.
| S. No. | Compound ID | MW | LogP | HBD | HBA | rBonds |
|---|---|---|---|---|---|---|
| 1. | RHC80267© | 394.51 | 5.42 | 2 | 8 | 13 |
| 2. | ZINC85627948 | 721.99 | 4.18 | 7 | 8 | 2 |
| 3. | ZINC85530320 | 682.8 | 4.20 | 1 | 9 | 3 |
| 4. | ZINC85569100 | 676.82 | 4.89 | 7 | 7 | 9 |
| 5. | ZINC95914464 | 670.79 | 4.35 | 0 | 9 | 2 |
| 6. | ZINC95914661 | 690.92 | 4.64 | 4 | 8 | 3 |
| 7. | ZINC85545357 | 597.87 | 3.96 | 3 | 7 | 1 |
| 8. | ZINC95914660 | 691.93 | 5.03 | 5 | 7 | 3 |
| 9. | ZINC85542923 | 552.85 | 4.90 | 4 | 3 | 0 |
| 10. | ZINC85632555 | 701.87 | 2.56 | 5 | 9 | 4 |
| 11. | ZINC85545857 | 662.94 | 4.22 | 5 | 6 | 2 |
| 12. | ZINC85546208 | 618.8 | 4.53 | 3 | 5 | 3 |
| 13. | ZINC85569586 | 710.94 | 3.77 | 3 | 7 | 1 |
| 14. | ZINC85632546 | 715.9 | 2.37 | 5 | 9 | 4 |
| 15. | ZINC85569094 | 720.91 | 5.48 | 7 | 7 | 8 |
| 16. | ZINC85531411 | 688.8 | 4.09 | 1 | 8 | 4 |
| 17. | ZINC85569130 | 674.84 | 5.25 | 6 | 6 | 8 |
| 18. | ZINC85546197 | 670.88 | 4.39 | 3 | 5 | 3 |
| 19. | ZINC85570604 | 684.99 | 5.00 | 4 | 5 | 2 |
| 20. | ZINC85530916 | 644.71 | 3.98 | 4 | 8 | 3 |
| 21. | ZINC85530919 | 644.71 | 4.05 | 4 | 8 | 3 |
| 22. | ZINC85542736 | 691.02 | 6.17 | 4 | 3 | 2 |
| 23. | ZINC85570874 | 723.98 | 4.74 | 4 | 7 | 7 |
| 24. | ZINC85570863 | 750.02 | 4.76 | 4 | 7 | 7 |
| 25. | ZINC85542639 | 715.04 | 6.46 | 4 | 3 | 3 |
* MW. Molecular weight (Dalton), LogP: Lipophilicity, HBD: Hydrogen bond donor, HBA: Hydrogen bond acceptor, and rBonds: Rotatable bonds (measure of molecular flexibility of a compound). © symbol denoted as control inhibitor compound.