Table 8.
Compound | MW | HBA | HBD | Log P | Lipinski’s Violations |
---|---|---|---|---|---|
Rule | <500 | <10 | ≤5 | ≤5 | ≤1 |
2,4-Di-tert-butylphenol | 206.32 | 1 | 1 | 3.99 | 0 |
Pentadecene | 210.40 | 0 | 0 | 6.08 | 1 |
Nonadecene | 266.51 | 0 | 0 | 7.56 | 1 |
Methyl palmitate | 270.45 | 2 | 0 | 5.54 | 1 |
Palmitic acid | 256.42 | 2 | 1 | 5.20 | 1 |
Behenic alcohol | 326.60 | 1 | 1 | 7.61 | 1 |
Methyl lineoleate | 294.47 | 2 | 0 | 5.69 | 1 |
Methyl elaidolinolenate | 292.46 | 2 | 0 | 5.55 | 1 |
Linoleic acid | 280.45 | 2 | 1 | 5.45 | 1 |
Linolenic acid | 278.43 | 2 | 1 | 5.09 | 1 |
MW, Molecular weight (g/mol); HBA, Hydrogen bond acceptor; HBD, Hydrogen bond donor; Log P, Lipophilicity.