Table 6 Drug-likeness properties of the newly designed compounds
Molecule | MW | TPSA | WLOGP | No. of H-bond donors | No of H-bond acceptors | RO5 violations |
|---|---|---|---|---|---|---|
Molecule 1 | 591.63 | 106.63 | 7.2 | 3 | 7 | 2 |
Molecule 2 | 674.55 | 106.63 | 8.36 | 3 | 7 | 2 |
Molecule 3 | 591.63 | 106.63 | 7.2 | 3 | 7 | 2 |
Molecule 4 | 626.08 | 106.63 | 7.86 | 3 | 7 | 2 |
Molecule 5 | 609.62 | 106.63 | 7.76 | 3 | 8 | 2 |
Molecule 6 | 626.08 | 106.63 | 7.86 | 3 | 7 | 2 |
Molecule 7 | 609.62 | 106.63 | 7.76 | 3 | 8 | 2 |
Molecule 8 | 674.55 | 106.63 | 8.36 | 3 | 7 | 2 |
Molecule 9 | 658.09 | 106.63 | 8.51 | 3 | 8 | 2 |
Molecule 10 | 641.64 | 106.63 | 8.66 | 3 | 9 | 2 |
Molecule 11 | 621.66 | 115.86 | 7.21 | 3 | 8 | 2 |
Molecule 12 | 621.66 | 115.86 | 7.21 | 3 | 8 | 2 |
Molecule 13 | 644.07 | 106.63 | 8.42 | 3 | 8 | 2 |
Molecule 14 | 644.07 | 106.63 | 8.42 | 3 | 8 | 2 |
Molecule 15 | 639.65 | 115.86 | 7.77 | 3 | 9 | 2 |
Molecule 16 | 656.1 | 115.86 | 7.87 | 3 | 8 | 2 |