Table 5. Evaluation of Synthesized Compounds Using In Silico ADME.
compounds | MW | no. of H-bond acceptors | no. of H-bond donors | WLOGP | GI absorption | BBB permeant | Lipinski no. of violations | PAINS no. of alerts |
---|---|---|---|---|---|---|---|---|
9 | 336.36 | 6 | 2 | 2.49 | high | no | 0 | 0 |
10 | 304.36 | 4 | 2 | 3.09 | high | no | 0 | 0 |
11 | 417.89 | 7 | 3 | 3.47 | low | no | 0 | 0 |
12 | 342.17 | 4 | 2 | 3.78 | high | yes | 0 | 0 |
13 | 269.3 | 3 | 2 | 3.06 | high | yes | 0 | 0 |
14 | 304.73 | 3 | 1 | 3.93 | high | yes | 0 | 0 |
15 | 372.18 | 4 | 1 | 6.3 | high | no | 1 | 0 |
17 | 508.98 | 9 | 4 | 2.75 | low | no | 2 | 0 |
18 | 360.38 | 5 | 3 | 2.34 | high | no | 0 | 0 |
19 | 474.71 | 5 | 2 | 4.49 | low | no | 0 | 0 |
20 | 332.37 | 4 | 3 | 2.35 | high | no | 0 | 0 |
21 | 358.41 | 4 | 2 | 2.84 | high | no | 0 | 0 |
22 | 395.82 | 5 | 2 | 3.2 | low | no | 0 | 0 |
23 | 463.27 | 6 | 2 | 5.57 | high | no | 0 | 0 |
24 | 300.38 | 2 | 3 | 2.95 | high | no | 0 | 0 |
25 | 328.39 | 3 | 3 | 2.94 | high | no | 0 | 0 |
26 | 369.27 | 2 | 3 | 4.25 | high | no | 0 | 0 |