TABLE 1.
Inclusion/exclusion criteria for shortlisting of the compounds.
| Name | Criteria | |
|---|---|---|
| 1 | Lipinski and other violations | Zero violations |
| 2 | Molecular weight (MW) | 150–500 |
| 3 | TPSA | 20–130 |
| 4 | GI absorption | High |
| 5 | BBB permeability | No |
| 6 | Medicinal chemistry violations | Zero violations |
| 7 | Water solubility | Soluble/very soluble |
| 8 | Cardiotoxicity (hERG prediction) | No |
| 9 | CYP450 inhibition | Non-inhibitor |