Research Article
Organic Compounds Based on (E)-N-Aryl-2-ethene-sulfonamide as Microtubule Targeted Agents in Prostate Cancer: QSAR Study
Table 6
Violations of Lipinski rules.
| Compound | MW | HA | HD | | Number of violations |
| 1 | 259.32 | 2 | 1 | 3.332 | 0 | 2 | 293.76 | 2 | 1 | 3.954 | 0 | 3 | 256.22 | 3 | 1 | 4.289 | 0 | 4 | 307.34 | 4 | 1 | 3.396 | 0 | 5 | 319.37 | 4 | 1 | 3.137 | 0 | 6 | 349.4 | 5 | 1 | 3.03 | 0 | 7 | 349.4 | 5 | 1 | 3.03 | 0 | 8 | 379.43 | 6 | 1 | 2.94 | 0 | 9 | 379.43 | 6 | 1 | 2.68 | 0 | 10 | 379.43 | 6 | 1 | 2.94 | 0 | 11 | 365.43 | 6 | 2 | 2.63 | 0 | 12 | 343.32 | 6 | 1 | 3.72 | 0 | 13 | 397.42 | 7 | 1 | 3.1 | 0 | 16 | 394.42 | 7 | 2 | 2.12 | 0 | 17 | 424.42 | 7 | 1 | 2.12 | 0 | 18 | 394.44 | 7 | 2 | 1.86 | 0 | 22 | 412.39 | 7 | 1 | 2.9 | 0 | 23 | 382.41 | 7 | 2 | 2.38 | 0 | 24 | 469.42 | 8 | 1 | 2.08 | 0 | 25 | 409.46 | 8 | 3 | 1.3 | 0 | 26 | 337.37 | 5 | 1 | 3.29 | 0 | 27 | 379.29 | 9 | 1 | 4.2 | 0 | 28 | 424.29 | 9 | 1 | 3.48 | 0 | 29 | 394.32 | 9 | 2 | 3.22 | 0 | 30 | 424.29 | 9 | 1 | 3.48 | 0 | 31 | 394.32 | 9 | 2 | 3.22 | 0 | 32 | 439.23 | 12 | 1 | 4.94 | 1 | 33 | 376.43 | 5 | 2 | 2.6 | 0 | 34 | 390.45 | 5 | 2 | 3.12 | 0 | 35 | 404.48 | 5 | 2 | 3.24 | 0 | 36 | 452.53 | 5 | 2 | 4.16 | 0 | 37 | 470.52 | 6 | 2 | 4.32 | 0 | 38 | 531.42 | 5 | 2 | 4.96 | 1 | 39 | 362.4 | 5 | 3 | 2.29 | 0 | 40 | 376.43 | 5 | 3 | 2.81 | 0 | 41 | 390.45 | 5 | 3 | 2.93 | 0 | 42 | 438.5 | 5 | 3 | 3.85 | 0 | 43 | 456.49 | 6 | 3 | 4.01 | 0 | 44 | 472.94 | 5 | 3 | 4.47 | 0 | 45 | 517.394 | 5 | 3 | 4.64 | 1 |
|
|