Table 2 Docking score and molecular properties of the designed compound
Sl. no. | Compound | Binding energy (Kcal/Mol) | Log p | Molecular weight | Hydrogen bond acceptor | Hydrogen bond donor | No. of variation |
|---|---|---|---|---|---|---|---|
1 | D1 | − 8.93 | 4.93 | 576.21 | 9 | 1 | 1 |
2 | D2 | − 7.53 | 4.96 | 567.21 | 9 | 1 | 1 |
3 | D3 | − 7.91 | 4.98 | 567.20 | 9 | 1 | 1 |