Table 3.
ADME Properties of selected inhibitors against SARS-CoV-2S (spike protein).
| S.No. | Ligand/Phytochemicals | ADME
Properties (Lipinski’s Rule of Five |
Drug Likeliness | |
|---|---|---|---|---|
| Properties | Values | |||
| 1 | Fisetin | Molecular weight (<500 Da) | 286 | Yes |
| LogP (<5) | 2.3 | |||
| H-bond donor (5) | 4 | |||
| H-bond acceptor (<10) | 6 | |||
| Molar Refractivity (40-130) | 72.4 | |||
| Violations | NO | |||
| 2 | Quercetin | Molecular weight (<500 Da) | 302 | Yes |
| LogP (<5) | 2 | |||
| H-bond donor (5) | 5 | |||
| H-bond acceptor (<10) | 7 | |||
| Molar Refractivity (40-130) | 74 | |||
| Violations | NO | |||
| 3 | Kamferol | Molecular weight (<500 Da) | 286 | Yes |
| LogP (<5) | 2.3 | |||
| H-bond donor (5) | 4 | |||
| H-bond acceptor (<10) | 6 | |||
| Molar Refractivity (40-130) | 72.4 | |||
| Violations | NO | |||