Table 2. Lipinski’s rule of five calculated by Molinspiration.
Molecule | MiLogp | Mw | H acceptor | H donor | Violations |
---|---|---|---|---|---|
Y-3 | -0.719 | 359.337 | 9 | 2 | 0 |
1 | 0.906 | 481.504 | 10 | 1 | 0 |
2 | 1.131 | 493.515 | 10 | 0 | 0 |
3 | 1.317 | 489.527 | 9 | 0 | 0 |
4 | -0.103 | 453.45 | 10 | 0 | 0 |
5 | -0.799 | 498.491 | 12 | 2 | 1 |
6 | 1.196 | 489.527 | 9 | 0 | 0 |
7 | -0.188 | 465.461 | 10 | 0 | 0 |
8 | -0.374 | 496.475 | 12 | 1 | 1 |
9 | 0.858 | 481.504 | 10 | 0 | 0 |
10 | 0.979 | 455.466 | 10 | 0 | 0 |
11 | 1.137 | 479.488 | 10 | 0 | 0 |
12 | -1.764 | 483.436 | 13 | 1 | 1 |
13 | 0.293 | 467.477 | 10 | 0 | 0 |
14 | 0.948 | 495.531 | 10 | 0 | 0 |
15 | -0.574 | 467.433 | 11 | 1 | 1 |
16 | -0.558 | 468.465 | 11 | 1 | 1 |
17 | 1.324 | 481.504 | 10 | 0 | 0 |
18 | 0.672 | 479.488 | 10 | 0 | 0 |
19 | -0.762 | 498.447 | 13 | 2 | 1 |
20 | -0.857 | 482.492 | 11 | 1 | 1 |
21 | 1.136 | 489.483 | 10 | 0 | 0 |