Table 3.
Drug likeliness of phytochemicals.
| Lead molecules | Water solubility (log mol/L) | Caco2 permeability (Log Papp in 10-6 cm/s) | Intestinal absorption (human-%) | P-glycoprotein substrate (yes/no) | VDss (human) (logL/kg) | BBB permeability (log BB) | CYP2D6 substrate (yes/no) | AMES toxicity |
Hepato toxicity | |
|---|---|---|---|---|---|---|---|---|---|---|
| Nelfinavir | −3.894 | 0.693 | 70.888 | yes | 0.563 | −0.522 | no | no | yes | |
| Flabelliferin B | −5.978 | 0.733 | 95.661 | yes | −0.056 | −0.352 | no | no | no | |
| Ocimin | −6.216 | 1.687 | 93.091 | yes | 0.685 | 0.595 | no | no | yes | |
| Piperine | −3.464 | 1.596 | 94.444 | yes | 0.158 | −0.102 | no | no | yes | |
| Marmelosin | −3.831 | 1.383 | 97.755 | no | 0.147 | 0.176 | no | yes | no | |
| Curcumin | −4.01 | −0.093 | 82.19 | yes | −0.215 | −0.562 | no | no | no | |
| Leucoanthocyanin | −2.916 | −0.059 | 51.018 | yes | 1.721 | −1.185 | no | no | no | |