Table 7 Drug-likeness properties of the designed compounds
Molecule | MW | TPSA | WLOGP | No. of H-bond donors | No. of H-bond acceptors | RO5 violations |
|---|---|---|---|---|---|---|
Molecule 1 | 588.63 | 137.48 | 3.38 | 3 | 10 | 2 |
Molecule 2 | 637.1 | 137.48 | 4.13 | 3 | 11 | 2 |
Molecule 3 | 653.56 | 137.48 | 3.98 | 3 | 11 | 2 |
Molecule 4 | 655.7 | 132.44 | 4.23 | 4 | 11 | 2 |
Molecule 5 | 570.64 | 137.48 | 2.83 | 3 | 6 | 1 |
Molecule 6 | 598.7 | 137.48 | 3.46 | 3 | 6 | 1 |