Table 6.
The calculated ADME properties of synthesized compounds
| No. | Log S wat a | HOA b (%) | Metab c | RO3 d |
|---|---|---|---|---|
| 4b | -2.695 | 71.4 | 2 | 0 |
| 4j | -4.210 | 73.1 | 2 | 0 |
| 4n | -3.919 | 72.5 | 3 | 0 |
| 4o | -2.870 | 62.1 | 3 | 0 |
| 4p | -4.285 | 67.8 | 2 | 0 |
| 5a | -3.720 | 94.6 | 3 | 0 |
| 5b | -2.372 | 88.7 | 3 | 0 |
| 5c | -3.883 | 95.6 | 2 | 0 |
| ciprofloxacin | -3.793 | 75.7 | 0 | 1 |
aPredicted aqueous solubility in mol dm−3 (−6.5 – 0.5) (QPlogS > -5.7).
bPercentage human oral absorption (< 25% is poor and > 80% is high).
cNumber of likely metabolic reactions (Primary Metabolites < 7).
dNumber of violations of Jorgensen’s rule of three. Compounds with fewer (preferably no) violations of these rules are more likely to be orally available.