Table 3 Results of molecular docking calculations (ADME) for D1-D4 compounds.
Entry | Molecular weight | Number of acceptor hydrogen bonds | Number of donor hydrogen bonds | Cell permeability (nmol s−1) | Binding affinity |
|---|---|---|---|---|---|
D1 | 520.414 | 5.250 | 3.000 | 943.765 | − 80.223 |
D2 | 551.385 | 6.250 | 3.000 | 149.880 | − 76.847 |
D3 | 580.423 | 7.000 | 3.000 | 106.331 | − 81.194 |
D4 | 564.424 | 7.250 | 3.000 | 241.283 | − 77.471 |
