Molecule | MW | TPSA | WLOGP | No. of H-bond donors | No of H-bond acceptors | RO5 violations |
---|---|---|---|---|---|---|
Molecule 3 | 501.46 | 114.47 | 4.44 | 3 | 9 | 1 |
Molecule 5 | 534.97 | 94.6 | 4.11 | 2 | 7 | 1 |
Molecule 6 | 500.52 | 94.6 | 4.46 | 2 | 7 | 1 |
Molecule 7 | 517.96 | 107.49 | 4.95 | 2 | 7 | 1 |
Molecule 9 | 400.43 | 85.37 | 3.54 | 2 | 5 | 0 |
Molecule 12 | 428.84 | 85.37 | 4.69 | 2 | 6 | 0 |
Molecule 22 | 557.62 | 97.84 | 4.39 | 2 | 8 | 1 |
Molecule 29 | 526 | 88.61 | 4.16 | 2 | 7 | 1 |
Molecule 34 | 560.04 | 124.89 | 4.61 | 2 | 8 | 1 |
Molecule 43 | 441.52 | 79.38 | 3.85 | 2 | 5 | 0 |