Table 3.
In silico prediction of drug-likeness properties of top hit phyto-ligands.
| Phyto-ligands | MW | HBD | HBA | Log p[<5] | nRO | nViol |
|---|---|---|---|---|---|---|
| Apigenin-7-O-glucuronide | 446.36 | 6 | 11 | 0.55 | 4 | 2 |
| Ellagic acid | 302.19 | 4 | 8 | 0.94 | 0 | 0 |
| Vasicolinone | 305.38 | 0 | 4 | 2.91 | 2 | 0 |
| Anisotine | 349.39 | 1 | 6 | 2.99 | 4 | 0 |
| Endesmol | 222.37 | 1 | 1 | 4.01 | 1 | 0 |
| Viridiflorene | 204.36 | 0 | 0 | 4.19 | 0 | 0 |
Note: MW-molecular weight, HBD-hydrogen bond donor, HBA-hydrogen bond acceptor, Log p, TPSA-Total polar surface area, nRO-Number of rotatable bond, nViol-Number of violation.