Table 5 ADME parameters of the most active compounds
From: In-silico molecular design of heterocyclic benzimidazole scaffolds as prospective anticancer agents
S. no. | Comp. | Molecular structure | ADME parameters | ||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Mol MW | Rule of five | QPlogPo/w | Human oral absorption | Volume | Percent human oral absorption | QPlogPw | QPlogKp | QPlogBB | Donor HB | Accept HB | |||
1 | 16 |
| 459.5 | 0 | 4.681 | 1 | 1454.82 | 100.0 | 15.86 | − 1.699 | − 1.812 | 3.0 | 7.25 |
2 | N9 |
| 430.5 | 0 | 4.748 | 1 | 1379.64 | 100.0 | 15.049 | − 1.438 | − 1.054 | 3.0 | 6.5 |
3 | W20 |
| 430.5 | 0 | 4.903 | 1 | 1386.55 | 100.0 | 14.002 | − 1.028 | − 0.975 | 2.0 | 7.0 |
