Table 3.
Drug-likeness predictions.
| Compound | Molecular weight (g/mol) | Rotatable bonds | H-bond acceptors | H-bond donors | Molar Refractivity | iLOGP | XLogP | Gastrointestinal absorption | BBB permeability | Lipinski violations | Bioavailability score |
|---|---|---|---|---|---|---|---|---|---|---|---|
| Quercetin | 302.24 | 1 | 7 | 5 | 78.03 | 1.63 | 1.54 | High | No | 0 | 0.55 |
| Withaferin A | 470.60 | 3 | 6 | 2 | 127.49 | 3.24 | 3.83 | High | No | 0 | 0.55 |
| Withanone | 470.60 | 2 | 6 | 2 | 127.53 | 3.46 | 3.05 | High | No | 0 | 0.55 |
| Withanolide A | 470.60 | 2 | 6 | 2 | 127.53 | 3.76 | 3.12 | High | No | 0 | 0.55 |
| Ashwagandhanolide | 975.30 | 8 | 13 | 6 | – | – | – | – | – | – | – |