TABLE 4.
Pharmacokinetics and drug-likeness predictions for selected chalcones and bichalcones. Predictions were performed using the SwissADME webtool (Daina et al., 2017; Bakchi et al., 2022). The detailed dataset of predicted property data for all chalcones and bichalcones is given in Supplementary Tables S9–S19.
| Comp | TPSA Å2 | Solubility | GI absorp | BBB perm | P-gp substrate | CYP2C9 inhib | Lipinsiki #violat | Veber #violat |
|---|---|---|---|---|---|---|---|---|
| 1ab | 46.5 | moderate | high | yes | no | yes | 0 | 0 |
| 1bb | 55.8 | moderate | high | yes | no | yes | 0 | 0 |
| 2ab | 93.1 | poor | low | no | no | no | 1 | 0 |
| 2ac | 99.5 | poor | low | no | no | no | 1 | 1 |
| 2ae | 93.1 | insoluble | low | no | no | no | 2 | 0 |
| 2bb | 111.5 | poor | low | no | no | no | 1 | 1 |