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. 2022 Dec 6;7(50):47251–47264. doi: 10.1021/acsomega.2c06513

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