Table 1. Complete pharmacokinetics profile of six phytochemicals.
| Ligand name | MW | H-Ac | H-Do | Log P | NRB | IA | TC | LD50 | HT | AT | MTD | NLV | DL |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Cassiarin D | 445.471 | 7 | 2 | 4.12862 | 4 | 100 | −0.295 | 2.694 | Yes | No | 0.155 | 0 | Yes |
| Rhamnetin | 316.265 | 7 | 4 | 2.291 | 2 | 80.214 | 0.473 | 2.453 | No | No | 0.56 | 0 | Yes |
| Lactupicrin | 410.422 | 7 | 2 | 1.782 | 4 | 100 | 0.317 | 2.029 | No | No | −0.72 | 0 | Yes |
| Rhinacanthin D | 408.406 | 7 | 1 | 3.723 | 5 | 93.396 | 0.118 | 1.908 | No | No | 0.52 | 0 | Yes |
| Flemiflavanone D | 424.493 | 6 | 3 | 4.7385 | 5 | 95.506 | 0.198 | 2.454 | No | No | −0.361 | 0 | Yes |
| Exiguaflavanone A | 424.493 | 6 | 4 | 5.3066 | 6 | 81.719 | 0.367 | 2.178 | No | No | 0.221 | 0 | Yes |
MW = molecular weight (g/mol); H-Ac = No. of hydrogen bond acceptor; H-Do = No. of hydrogen bond donor; LogP = Predicted octanol/water partition coefficient; NRB = No. of rotatable bonds; IA = Intestinal absorption (% absorbed); TC = Total clearance (log ml/min/kg); LD50 = Oral rat acute toxicity; HT = Hepatotoxicity; AT = AMES toxicity; MTD = Maximum tolerated dose for human (log mg/kg/day); NLV = No. of Lipinski’s rule violations; DL = Drug-likeness (Lipinski’s rule).