Table 3.
Predicted ADME/T properties
Compounds | Polar surface area | LogP | BBB permeability | CNS permeability | Total clearance | Hepatotoxicity |
---|---|---|---|---|---|---|
1e | 139.63 | 3.0607 | − 0.221 | − 2.403 | 0.743 | No |
3a | 174.309 | 7.3887 | 0.777 | − 1.746 | 0.589 | No |
4b | 127.66 | 6.6914 | 0.853 | − 1.399 | 0.986 | No |
4n | 206.31 | − 0.559 | − 1.742 | − 4.092 | 1.576 | No |
5b | 185.387 | 10.1412 | 1.029 | − 1.066 | 2.152 | No |
5c | 179.022 | 9.7511 | 1.004 | − 1.054 | 2.13 | No |