Table 9.
Lipinski rule of five and solubility of best-docked compounds.
| Sr no. | Best-Docked Compounds | Lipinski’s Rule | Solubility | |||||||
|---|---|---|---|---|---|---|---|---|---|---|
| HBD | HBA | MWT | Lipophilicity | M.R | LR | ESOL Class | Ali Class | Silicos-IT Class | ||
| 1 | Ursa-9(11),12-dien-3-ol | 1 | 1 | 424.7 | 4.81 | 134.67 | 1 | PS | PS | PS |
| 2 | Olean-12-en-3-ol, acetate, (3beta)- | 0 | 2 | 468.75 | 5.19 | 144.62 | 1 | PS | IS | PS |
| 3 | beta-Amyrin | 1 | 1 | 426.72 | 4.74 | 134.88 | 1 | PS | PS | PS |
| 4 | 11-Oxours-12-en-3-yl acetate | 0 | 3 | 482.74 | 4.79 | 145.08 | 1 | PS | PS | PS |
| 5 | Campesterol | 1 | 1 | 400.68 | 4.92 | 131.23 | 1 | PS | PS | MS |
| 6 | beta-Sitosterol | 1 | 1 | 414.71 | 4.79 | 133.23 | 1 | PS | PS | PS |
| 7 | Stigmasterol | 1 | 1 | 412.69 | 5.01 | 132.75 | 1 | PS | PS | MS |
HBD; hydrogen bond doners, HBA; hydrogen bond acceptors, MWT; molecular weight, M.R; molar refractivity, LR; Lipinski rule, PS; poorly soluble, MS; moderate soluble, and IS; insoluble.