TABLE 5.
Pharmacokinetic properties of the selected bioactive secondary metabolites in Me‐BLL
| Compounds | Lipinski Rules | Lipinski's violations (≤1) | Veber Rules | ||||
|---|---|---|---|---|---|---|---|
| MW (<500) | HBA (<10) | HBD (<5) | Log P (≤5) | Nrb (≤10) | TPSA (≤140 Å2) | ||
| Cuminol | 150.22 | 1 | 1 | 2.34 | 0 | 2 | 20.23 |
| Thymol | 150.22 | 1 | 1 | 3.30 | 0 | 1 | 20.23 |
| Stigmast‐5‐en‐3.beta.‐ol | 414.71 | 1 | 1 | 9.34 | 1 | 6 | 20.23 |
| Gamma‐Sitosterol | 414.71 | 1 | 1 | 9.34 | 1 | 6 | 20.23 |
| 13‐Docosenamide, (Z)‐ | 337.58 | 1 | 1 | 9.16 | 1 | 19 | 43.09 |
| Squalene | 410.72 | 0 | 0 | 11.58 | 1 | 15 | 0 |
| Vitamin E | 430.71 | 2 | 1 | 10.7 | 1 | 12 | 29.46 |
| Stigmasterol | 412.69 | 1 | 1 | 8.56 | 1 | 5 | 20.23 |
Abbreviations: HBA, hydrogen bond acceptor; HBD, hydrogen bond donor; Log P, lipophilicity; MW, molecular weight (g/mol); nRB, number of rotatable bond; TPSA, topological polar surface area.