Table 3.
Drug-likeliness analysis results of 10 phytochemicals targeting 3CLpro
| Compound/Pubchem CompoundCID | Source | Properties | ||||
|---|---|---|---|---|---|---|
| Molecular weight (< 500 Da) | Logp (< 5) | H-Bond donor (< 5) | H-bond acceptor (< 10) | Violations | ||
| Ursolic acid/64,945 | Oldenlandia diffusa(snake needle grass) | 456.70 | 5.82 | 2 | 3 | 1 |
| Robinetinidol/12,314,983 | Acacia mearnsii(black wattle) | 290.27 | 0.24 | 5 | 6 | 0 |
| Plumbagin/10,205 | Plumbago zeylanica(Ceylon leadword) | 188.18 | 0.59 | 1 | 3 | 0 |
| Mesquitol/1,103,382 | Prosopis juliflora (vlyati babool) | 290.27 | 0.24 | 5 | 6 | 0 |
| Legalon/5213 | Silybum marianum(milk thistle) | 482.44 | − 0.40 | 5 | 10 | 0 |