Table 7.
Code | Lipinski Rule of Five | Veber Rule | ||||||
---|---|---|---|---|---|---|---|---|
MW (g/mol) | iLOG P | HDs | HAs | Violations | RBs | TPSA (Å2) | Violations | |
3a | 266.25 | 1.63 | 2 | 4 | 0 | 2 | 78.76 | 0 |
3b | 284.24 | 1.39 | 2 | 5 | 0 | 2 | 78.76 | 0 |
5a | 353.40 | 1.96 | 4 | 3 | 0 | 6 | 126.71 | 0 |
5b | 371.39 | 2.40 | 4 | 4 | 0 | 6 | 126.71 | 0 |
7a | 294.30 | 2.52 | 1 | 4 | 0 | 4 | 67.76 | 0 |
7b | 312.30 | 2.43 | 1 | 5 | 0 | 4 | 67.76 | 0 |
8a | 280.28 | 1.28 | 3 | 4 | 0 | 3 | 96.58 | 0 |
8b | 298.27 | 0.78 | 3 | 5 | 0 | 3 | 96.58 | 0 |
10a | 413.39 | 1.70 | 2 | 6 | 0 | 6 | 128.74 | 0 |
10b | 462.83 | 2.73 | 2 | 4 | 0 | 5 | 82.92 | 0 |
10c | 413.39 | 1.52 | 2 | 6 | 0 | 6 | 128.74 | 0 |
10d | 382.41 | 2.74 | 2 | 4 | 0 | 5 | 82.92 | 0 |
10e | 398.41 | 2.11 | 2 | 5 | 0 | 6 | 92.15 | 0 |
10f | 429.45 | 2.27 | 2 | 5 | 0 | 6 | 86.16 | 0 |
10g | 465.27 | 2.93 | 2 | 5 | 0 | 5 | 82.92 | 0 |
12a | 410.38 | 1.89 | 2 | 5 | 0 | 4 | 107.94 | 0 |
12b | 428.37 | 2.09 | 2 | 6 | 0 | 4 | 107.94 | 0 |
14a | 392.41 | 2.48 | 2 | 6 | 0 | 8 | 109.22 | 0 |
14b | 410.40 | 2.59 | 2 | 7 | 0 | 8 | 109.22 | 0 |
15a | 322.34 | 1.99 | 2 | 4 | 0 | 2 | 115.37 | 0 |
15b | 346.33 | 2.10 | 2 | 5 | 0 | 2 | 115.37 | 0 |
17a | 415.47 | 2.39 | 4 | 3 | 0 | 7 | 126.71 | 0 |
17b | 433.46 | 2.81 | 4 | 4 | 0 | 7 | 126.71 | 0 |