Table 8.
ADME property prediction for the major compounds of EEOR, obtained using Swiss ADME.
| Compound Name | MW 1 (g/mol) | HB Acceptor 2 | HB Donor 3 | Log Po/w 4 | Molar Refractivity 5 | Rule of Five 6 |
|---|---|---|---|---|---|---|
| Loliolide | 196.24 | 3 | 1 | 1.53 | 52.51 | 0 |
| Ethyl linolenate | 306.48 | 2 | 0 | 5.82 | 98.12 | 1 |
| Methyl linoleate | 297.47 | 2 | 0 | 5.69 | 98.78 | 1 |
| Erucamide | 337.58 | 1 | 1 | 6.77 | 110.30 | 1 |
| γ-Sitosterol | 414.71 | 1 | 1 | 7.19 | 133.1 | 2 |
| 2-Palmitoylglycerol | 330.50 | 4 | 2 | 4.72 | 97.06 | 0 |
| Methyl palmitate | 270.45 | 2 | 0 | 5.54 | 85.12 | 1 |
| Methyl stearate | 298.50 | 2 | 0 | 6.24 | 94.73 | 1 |
| Neophytadiene | 278.52 | 0 | 0 | 7.07 | 97.31 | 1 |
| Phytol | 296.53 | 1 | 1 | 6.22 | 98.94 | 1 |
| Squalene | 410.72 | 0 | 0 | 9.38 | 143.48 | 2 |
| Stigmasterol | 412.69 | 1 | 1 | 6.96 | 132.75 | 2 |
| Vitamin E | 430.71 | 2 | 1 | 8.27 | 139.27 | 2 |
1 MW, Molecular weight (acceptable range: <500). 2 HB, Hydrogen bond acceptor (acceptable range: ≤10). 3 HB, Hydrogen bond donor (acceptable range: ≤5). 4 Lipophilicity (expressed as Log Po/w, acceptable range: <5). 5 Molar refractivity should be between 40 and 130. 6 Rule of five: Number of violations of Lipinski’s rule of five; recommended range: 0–4.