Table 2.
ADMET analysis and drug-likeness results of selected compounds.
| Properties | Features | Beta-Aymrin | Beta-Sitosterol | Epiafzelechin |
|---|---|---|---|---|
| Physiochemical Properties | MW(g/mol) | 426.72 | 414.71 | 274.27 |
| H.B. donor | 1 | 1 | 4 | |
| H.B. acceptor | 1 | 1 | 5 | |
| MR | 134.88 | 133.23 | 72.31 | |
| Arom. heavy Atom | 0 | 0 | 12 | |
| Rotatable bonds | 0 | 6 | 1 | |
| TPSA | 20.23 | 20.23 | 90.15 | |
| Lipophilicity | logP(SILICOS-IT) | 6.92 | 7.04 | 1.47 |
| Water solubility | Logsw(SILICOS-IT) | − 7.16 | − 6.19 | − 2.72 |
| Pharmacokinetics | G.I. absorption | Low | Low | High |
| Drug-likeness | Lipinski | Yes:1 violation | Yes:1 violation | Yes: 0 violation |