Table 5.
Compound(s) | Lipinski Rules | Lipinski’s Violation(s) | ||||
---|---|---|---|---|---|---|
MW | HBA | HBD | LogP | nRB | ||
Acceptable Range | <500 | ≤10 | ≤5 | ≤5 | ≤10 | |
GA | 170.12 | 5 | 4 | 0.21 | 1 | 0 |
MTMG | 226.23 | 5 | 0 | 1.78 | 5 | 0 |
EA | 302.19 | 8 | 4 | 1 | 0 | 0 |
Q3LA | 434.35 | 11 | 7 | 0 | 3 | 2 |
M3LA | 450.35 | 12 | 8 | −0.48 | 3 | 2 |
Q3DG | 616.48 | 16 | 10 | −0.11 | 7 | 3 |
MW molecular weight; HBA number of H-bond acceptor; HBD number of H-bond donors; Log P, lipophilicity; nRB number of rotatable bonds; GA, gallic acid; MTMG, methyl tri-O-methylgallate; EA, ellagic acid; Q3LA, quercetin 3-O-α-L-arabinopyranoside; M3LA, myricetin 3-O-α-L-arabinopyranoside; Q3DG, quercetin 3-O-(6″-galloyl)-β-D-galactopyranoside.