TABLE 7.
Prediction of physicochemical properties of 11 chemical compounds extracted from Ferula communis leaf based on Lipinski’s rule of five.
| Molecule Number |
Physicochemical properties | Lipinski rules | ||||
|---|---|---|---|---|---|---|
| Molecular weight (g/mol) | Molar refractive index | Log P (octanol/water) | Hydrogen bond acceptors | Hydrogen bond donors | Categorical (Yes/No) | |
| Rule | ≤500 | 40≤ MR ≤ 130 | <5 | ≤10 | <5 | |
| M1 | 302.28 | 77.83 | 2.51 | 6 | 3 | Yes |
| M2 | 312.32 | 87.40 | 2.96 | 5 | 0 | Yes |
| M3 | 272.25 | 62.61 | 1.64 | 7 | 5 | Yes |
| M4 | 456.70 | 136.91 | 3.95 | 3 | 2 | Yes |
| M5 | 286.24 | 76.01 | 1.86 | 6 | 4 | Yes |
| M6 | 418.35 | 102.17 | 1.76 | 10 | 6 | Yes |
| M7 | 168.15 | 41.92 | 1.40 | 4 | 2 | Yes |
| M8 | 138.12 | 35.42 | 0.85 | 3 | 2 | Yes |
| M9 | 290.27 | 74.33 | 1.47 | 6 | 5 | Yes |
| M10 | 306.27 | 76.36 | 1.37 | 7 | 6 | Yes |
| M11 | 286.24 | 76.01 | 1.70 | 6 | 4 | Yes |
M1, hesperetin; M2, trimethoxyflavone; M3, arbutin; M4, ursolic acid; M5, luteolin; M6, kaempferol-3-O-pentoside; M7, vanillic acid; M8, p-hydroxybenzoic; M9, epicatechin; M10, gallocatechin; M11, kaempferol.