Table 3.
In-silico physicochemical properties.
| Comp. | MW | Log P | HBD | HBA | nViolation | TPSA | NoRB |
|---|---|---|---|---|---|---|---|
| 7a | 418.43 | 4.20 | 2 | 8 | 0 | 113.38 | 3 |
| 7b | 388.41 | 4.15 | 2 | 7 | 0 | 104.14 | 2 |
| 7c | 422.85 | 4.82 | 2 | 7 | 0 | 104.14 | 2 |
| 7d | 403.42 | 3.58 | 4 | 8 | 0 | 130.17 | 2 |
| 7e | 430.49 | 5.66 | 2 | 7 | 1 | 104.14 | 3 |
| 7f | 438.47 | 5.30 | 2 | 7 | 1 | 104.14 | 2 |
| 8a | 369.38 | 5.49 | 0 | 5 | 1 | 61.57 | 3 |
| 8b | 339.35 | 5.43 | 0 | 4 | 1 | 52.34 | 2 |
| 8c | 373.80 | 6.11 | 0 | 4 | 1 | 52.34 | 2 |
| 8d | 354.37 | 4.87 | 2 | 5 | 0 | 78.36 | 2 |
| 8e | 381.43 | 6.95 | 0 | 4 | 1 | 52.34 | 3 |
| 8f | 389.41 | 6.59 | 0 | 4 | 1 | 52.34 | 2 |
| 4 | 330.76 | 3.07 | 2 | 6 | 0 | 94.91 | 0 |
| 5 | 281.70 | 4.36 | 0 | 3 | 0 | 43.10 | 0 |
| Ciprofloxacin | 331.35 | −0.70 | 2 | 6 | 0 | 74.57 | 3 |
The Red colored values imply above normal range (log P value ≤ 5), recommended by Lipinski's rule.