Table 3 Probabilities for drug-likeness properties of amide-based monomeric and dimericpyridinium bromides 1–6 predicted by Lipinski’srule of five”.
From: Solid-phase synthesis and cytotoxic evaluation of novel pyridinium bromides
Compd | Mass (g/mol) (< 500) | Number of hydrogen bond acceptors (≤ 10) | Number of hydrogen bond donors (≤ 10) | Log P (≤ 5) | TPSA (≤ 140) Å |
|---|---|---|---|---|---|
1 | 212.25 | 2 | 1 | 2.16 | 41.99 |
2 | 668.46 | 2 | 2 | 1.39 | 65.96 |
3 | 688.45 | 2 | 2 | 1.55 | 65.96 |
4 | 641.63 | 2 | 2 | 1.85 | 65.96 |
5 | 428.28 | 3 | 1 | 0.93 | 78.8 |
6 | 411.29 | 2 | 1 | 1.52 | 50.05 |