Table 2 Druglikeliness
S. no | Ligand | miLog P | TPSA | Molecular weight | No. of H-bond acceptor | No. of H-bond donor | No. of violations | No. of rotatable bonds | Volume |
|---|---|---|---|---|---|---|---|---|---|
1 | 5a | 5.38 | 83.81 | 426.50 | 6 | 2 | 1 | 5 | 366.23 |
2 | 5b | 5.11 | 104.04 | 442.50 | 7 | 3 | 1 | 5 | 374.25 |
3 | 5c | 4.72 | 113.27 | 472.53 | 8 | 3 | 0 | 6 | 399.80 |
4 | 5d | 5.34 | 116.06 | 457.51 | 8 | 4 | 1 | 6 | 386.65 |
5 | 5e | 5.64 | 63.58 | 410.50 | 5 | 1 | 1 | 5 | 358.21 |
6 | 5f | 4.98 | 93.04 | 456.53 | 7 | 2 | 0 | 6 | 391.78 |
7 | Omeprazole | 2.41 | 77.11 | 345.42 | 6 | 1 | 0 | 5 | 302.81 |