Table 9.
Physicochemical properties of identified compounds from LSNHF for good oral bioavailability.
| Compounds | Lipinski's rule |
Lipinski's violation (≤1) | Veber rules |
||||
|---|---|---|---|---|---|---|---|
| MW (<500 g/mol) | HBA (<10) | HBD (<5) | Log P (≤5) | nRB (≤10) | TPSA (≤140 Å2) | ||
| Butanoic acid, 2-methyl- | 102.13 | 2 | 1 | 0.97 | 0 | 2 | 37.30 |
| Phenol, 2-methoxy-4-(2-propenyl)-, acetate | 206.24 | 3 | 0 | 2.55 | 0 | 5 | 35.53 |
| 9,9-Dimethoxybicyclo [3.3.1]nona-2,4-dione | 212.24 | 4 | 0 | 1.04 | 0 | 2 | 52.60 |
| Undec-10-ynoic acid, tetradecyl ester | 378.63 | 2 | 0 | 7.97 | 0 | 22 | 26.30 |
| 7-Hexadecenal, (Z)- | 238.41 | 1 | 0 | 5.11 | 0 | 13 | 17.07 |
| 2-Tridecenoic acid, (E)- | 212.33 | 2 | 1 | 3.93 | 0 | 10 | 37.3 |
| Oleic Acid | 282.46 | 2 | 1 | 5.71 | 1 | 15 | 37.30 |
| l-(+)-Ascorbic acid 2,6-dihexadecanoate | 652.94 | 8 | 2 | 9.57 | 2 | 34 | 119.36 |
| Eicosanoic acid | 312.53 | 2 | 1 | 6.62 | 1 | 18 | 37.30 |
| Docosane, 1,22-dibromo- | 468.39 | 0 | 0 | 9.10 | 1 | 21 | 0.00 |
| Cholesterol margarate | 639.09 | 2 | 1 | 12.44 | 2 | 22 | 26.30 |
Abbreviation: MW: Molecular weight; HBA:hydrogen-bond acceptors; HBD: hydrogen-bond donors; Log P: lipophilicity; nRB: number of rotatable bonds; TPSA: topological polar surface area.