Table 3.
Lipinski’s Rule of Five for ADME analysis of compounds 1–25.
Compound | MW (<500) | #H acceptors (<10) | #H-bond donors (<5) | Lipophilicity MLogP (<5) | Lipinski #violations | Drug Likeness |
---|---|---|---|---|---|---|
1 | 318.32 | 4 | 1 | 1.58 | 0 | yes |
2 | 350.32 | 6 | 3 | 0.47 | 0 | yes |
3 | 638.57 | 14 | 6 | −1.36 | 3 | no |
4 | 465.58 | 5 | 3 | 2.83 | 0 | yes |
5 | 428.56 | 5 | 2 | 2.89 | 0 | yes |
6 | 643.08 | 11 | 2 | 2.09 | 2 | no |
7 | 413.55 | 4 | 2 | 2.39 | 0 | yes |
8 | 544.51 | 10 | 6 | 0.48 | 2 | no |
9 | 598.6 | 10 | 6 | 1.26 | 2 | no |
10 | 598.6 | 10 | 6 | 1.26 | 2 | no |
11 | 468.54 | 7 | 1 | 2.78 | 0 | yes |
12 | 496.55 | 8 | 2 | 1.57 | 0 | yes |
13 | 424.44 | 7 | 2 | 2.09 | 0 | yes |
14 | 398.45 | 6 | 3 | 1.69 | 0 | yes |
15 | 564.61 | 9 | 1 | 0.97 | 2 | no |
16 | 487.55 | 6 | 3 | 1.63 | 0 | yes |
17 | 358.35 | 4 | 2 | 1.84 | 0 | yes |
18 | 516.55 | 8 | 1 | 2.61 | 1 | yes |
19 | 439.47 | 5 | 1 | 2.00 | 0 | yes |
20 | 471.51 | 6 | 3 | 1.36 | 0 | yes |
21 | 480.56 | 5 | 4 | 0.86 | 0 | yes |
22 | 480.56 | 5 | 4 | 0.86 | 0 | yes |
23 | 348.39 | 4 | 1 | 3.29 | 0 | yes |
24 | 296.27 | 5 | 3 | 1.32 | 0 | yes |
25 | 308.28 | 5 | 2 | 1.76 | 0 | yes |