Physicochemical parameters and ADME of compounds 1–11 and hesperidina.
| Compound no. | TPSA Å2 | log Po/w (MLOGP) | GI absorption | BBB permeant | PAINS alert |
|---|---|---|---|---|---|
| 1 | 37.30 | 4.38 | High | Yes | 0 |
| 2 | 54.37 | 3.59 | High | Yes | 0 |
| 3 | 37.30 | 4.75 | High | No | 0 |
| 4 | 37.30 | 4.29 | High | Yes | 0 |
| 5 | 110.02 | 3.99 | Low | No | 0 |
| 6 | 69.56 | 5.61 | Low | No | 0 |
| 7 | 110.02 | 3.88 | Low | No | 0 |
| 8 | 89.79 | 4.98 | Low | No | 0 |
| 9 | 37.30 | 3.81 | High | Yes | 0 |
| 10 | 110.02 | 4.71 | Low | No | 0 |
| 11 | 110.02 | 4.67 | Low | No | 0 |
| Hesperidin | 234.29 | −3.04 | Low | No | 0 |
a
TPSA: topological polar surface area, MLOGP: Moriguchi logarithm of the partition coefficient, BBB: blood–brain barrier, PAINS: pan assay interference compounds.