Table 3 Absorption, distribution, metabolism, excretion, and toxicological properties of the selected compounds
Compounds | Molecular Weight (M.W) (g/mol) | HBD | HBA | log P (o/w) | HIA | Carcinogenicity (binary) | Violation score |
|---|---|---|---|---|---|---|---|
Caffeine | 194.19 | 0 | 6 | −1.03 | 0.9824 | 0.9429 | 0 |
Theaflavin | 564.50 | 12 | 9 | 2.21 | 0.9836 | 0.9571 | 3 |
Achyranthine | 129.16 | 1 | 2 | 0.02 | 0.9021 | 0.9571 | 0 |
Betaine | 117.15 | 0 | 2 | −1.56 | 0.9333 | 0.7316 | 0 |
Catechin | 290.27 | 5 | 6 | 1.55 | 0.9887 | 0.9286 | 0 |
Kaempferol | 286.24 | 4 | 6 | 2.28 | 0.9881 | 0.6985 | 0 |
Limonene | 136.24 | 0 | 0 | 3.31 | 0.9692 | 0.5856 | 0 |
Sabinene | 136.24 | 0 | 0 | 3.00 | 0.9828 | 0.7286 | 0 |
Piperine | 285.34 | 0 | 3 | 3.00 | 0.9639 | 0.9198 | 0 |
Pinene | 136.24 | 0 | 0 | 3.14 | 0.9677 | 0.7286 | 0 |
Favipiravir | 157.10 | 2 | 3 | −0.99 | 0.9612 | 0.9286 | 0 |
Hydroxychloroquine | 335.88 | 2 | 4 | 3.78 | 0.9934 | 0.8429 | 0 |