Table 3.
Compound | AlogP98 | PSA-2D | Solubility level | Absorption level | BBB level | PPB | CYP2D6 |
---|---|---|---|---|---|---|---|
1 | 3.647 | 68.259 | 2 | 0 | 2 | True | True |
3 | 4.532 | 47.443 | 2 | 0 | 1 | True | True |
14 | 3.664 | 59.328 | 2 | 0 | 1 | True | True |
15 | 3.208 | 59.328 | 2 | 0 | 2 | True | True |
16 | 4.945 | 50.796 | 2 | 0 | 1 | True | False |
G | 4.267 | 47.443 | 2 | 0 | 1 | True | True |
AlogP98: Lipophilicity descriptor; PSA-2D: Polar surface area; AlogP98: Lipophilicity descriptor; PSA-2D: Polar surface area; Solubility Level: (0, Good; 1, Moderate; 2, Poor; 3, Very poor); Absorption Level: (0, Good; 1, Moderate; 2, Poor; 3, Very poor); BBB Level: (0, very high blood–brain barrier penetration; 1, high; 2, medium; 3, low).