Table 7. Drug Likeness Predictions and Docking Scores of the Selected Compounds.
comp. no. | Lipinski violations | Ghose violations | Veber violations | Egan violations | Muegge violations | bioavailability score | binding affinity (kcal/mol) |
---|---|---|---|---|---|---|---|
7 | 0 | 0 | 0 | 0 | 0 | 0.55 | –8.0 |
8 | 0 | 0 | 0 | 0 | 0 | 0.55 | –6.9 |
16 | 1 | 0 | 0 | 0 | 0 | 0.55 | –7.8 |
17 | 2 | 4 | 1 | 1 | 2 | 0.17 | –9.4 |
18 | 1 | 0 | 0 | 0 | 1 | 0.55 | –8.5 |
19 | 0 | 0 | 0 | 0 | 0 | 0.55 | –7.5 |
20 | 0 | 0 | 0 | 0 | 0 | 0.55 | –8.4 |
21 | 0 | 0 | 0 | 0 | 0 | 0.55 | –7.9 |
22 | 1 | 1 | 0 | 0 | 1 | 0.55 | –9.9 |
23 | 1 | 0 | 0 | 0 | 0 | 0.55 | –8.1 |
24 | 1 | 1 | 0 | 1 | 1 | 0.55 | –8.8 |
25 | 0 | 0 | 0 | 0 | 0 | 0.55 | –9.1 |
26 | 0 | 0 | 0 | 0 | 0 | 0.55 | –8.9 |
27 | 1 | 0 | 0 | 0 | 0 | 0.55 | –8.9 |