Table 7 Drug-likeness properties
Molecule | MW | No. of H-bond acceptors | No. of H-bond donors | TPSA | WLOGP | Lipinski’s RO5 violations |
|---|---|---|---|---|---|---|
Molecule 4 | 614.16 | 7 | 3 | 137.17 | 5.2 | 1 |
Molecule 12 | 662.85 | 8 | 3 | 140.41 | 4.55 | 2 |
Molecule 16 | 546.42 | 6 | 3 | 94.65 | 4.76 | 1 |
Molecule 27 | 551.04 | 6 | 4 | 123.75 | 2.91 | 1 |
Molecule 29 | 579.05 | 6 | 4 | 140.82 | 2.83 | 2 |