Table 3.
Lipinski's role of studied compounds.
| Compound | Property |
Lipinski violations |
|||||
|---|---|---|---|---|---|---|---|
| Log P |
H-bond Acceptor |
H-bond Donor |
Rotatable bonds |
Molecular weight g/mol |
|||
| Rule | <4.15 | ≤10 | <5 | <10 | ≤500 | ≤1 | |
| N° | Name | ||||||
| 1 | Gallic acid | −0.16 | 5 | 4 | 1 | 170.12 | 0 |
| 2 | Methyl gallate | 0.18 | 5 | 3 | 2 | 184.15 | 0 |
| 3 | Agathisflavone | 0.25 | 10 | 6 | 3 | 538.46 | 2 |
| 4 | Sumaflavone | −0.25 | 11 | 7 | 3 | 554.46 | 3 |
| 5 | Pentagalloylglucose | −2.83 | 26 | 15 | 16 | 940.68 | 3 |
| 6 | Protocatechuic acid | 0.40 | 4 | 3 | 1 | 154.12 | 0 |
| 7 | Hinokiflavone | 0.52 | 10 | 5 | 4 | 538.46 | 1 |
| 8 | Chrysanthemin | −1.76 | 11 | 8 | 4 | 449.38 | 2 |
| 9 | Myrtillin | −2.25 | 12 | 9 | 4 | 465.38 | 2 |
| 10 | Isoquercetin | −2.59 | 12 | 8 | 4 | 464.38 | 2 |
| 11 | Kaempferol | −0.03 | 6 | 4 | 1 | 286.24 | 0 |
| 12 | Myricetin | −1.08 | 8 | 6 | 1 | 318.24 | 1 |
| 13 | Butein | 1.02 | 5 | 4 | 3 | 272.25 | 0 |
| 14 | β-caryophyllene | 4.63 | 0 | 0 | 0 | 204.35 | 1 |
| 15 | Artemisinin | 2.21 | 5 | 0 | 0 | 282.33 | 0 |
| 16 | Camphor | 2.30 | 1 | 0 | 0 | 152.23 | 0 |