Table 5.
The Lipinski rule of five properties of the most active compounds
| No. | Mw | HBD a | HBA b | Log P o/w c | rotor d | ROF e |
|---|---|---|---|---|---|---|
| 4b | 299.282 | 0.000 | 5.750 | 2.016 | 6 | 0 |
| 4j | 367.333 | 0.000 | 5.750 | 3.260 | 6 | 0 |
| 4n | 379.368 | 0.000 | 6.500 | 3.116 | 7 | 0 |
| 4o | 329.309 | 0.000 | 6.500 | 2.045 | 7 | 0 |
| 4p | 371.389 | 0.000 | 6.500 | 2.806 | 5 | 0 |
| 5a | 305.332 | 0.000 | 4.750 | 3.147 | 5 | 0 |
| 5b | 255.273 | 0.000 | 4.750 | 2.127 | 5 | 0 |
| 5c | 297.353 | 0.000 | 4.750 | 2.816 | 3 | 0 |
| ciprofloxacn | 331.346 | 1.000 | 6.000 | 0.280 | 1 | 0 |
aNumber of average Hydrogen Bond Donor (recommended value 0.0 – 6.0).
bNumber of average Hydrogen Bond Acceptor (recommended value 2.0 – 20.0).
cPredicted octanol/water partition coefficient (acceptable range from -2 to 6.5).
dNumber of rotatable bonds (recommended value 2.0 – 20.0).
eNumber of violations of Lipinski’s rule of five (maximum 4).