Table 3.
Druglikeness and pharmacokinetics prediction of the three top-scoring Artemisia annua compounds.
| Rhamnocitrin | Isokaempferide | Kaempferol | |
|---|---|---|---|
| Molecular weight | 300.26 | 300.26 | 286.24 |
| ESOL log S | −3.51 | −3.51 | −3.31 |
| Solubility class | Soluble | Soluble | Soluble |
| Mean log P | 1.98 | 1.94 | 1.58 |
| Lipinski violations | 0 | 0 | 0 |
| Bioavailability score | 0.55 | 0.55 | 0.55 |
| GI absorption | High | High | High |
| BBB permeant | No | No | No |
| Pgp substrate | No | No | No |
| CYP1A2 inhibitor | Yes | Yes | Yes |
| CYP2C19 inhibitor | No | No | No |
| CYP2C9 inhibitor | No | No | No |
| CYP2D6 inhibitor | Yes | Yes | Yes |
| CYP3A4 inhibitor | Yes | Yes | Yes |