Table 3 Drug-likeness prediction for 4a-m
Compound | Molecular Weight (Dalton) | LogP | Rotatable Bonds | Acceptors | Donors | Surface Area (Angstrom) | PAINS alert |
|---|---|---|---|---|---|---|---|
4a | 266.3 | 2.50 | 1 | 4 | 1 | 173.54 | 0 |
4b | 311.29 | 2.41 | 2 | 6 | 1 | 131.35 | 0 |
4c | 406.87 | 4.73 | 4 | 5 | 1 | 173.54 | 0 |
4d | 451.32 | 4.84 | 4 | 5 | 1 | 177.10 | 0 |
4e | 395.46 | 2.21 | 5 | 7 | 1 | 169.87 | 0 |
4f | 406.87 | 4.73 | 4 | 5 | 1 | 169.87 | 0 |
4g | 451.32 | 4.84 | 4 | 5 | 1 | 177.10 | 0 |
4h | 406.87 | 4.73 | 4 | 5 | 1 | 173.54 | 0 |
4i | 406.87 | 4.73 | 4 | 5 | 1 | 173.54 | 0 |
4j | 402.45 | 4.09 | 5 | 6 | 1 | 174.71 | 0 |
4k | 420.44 | 4.22 | 5 | 6 | 1 | 178.88 | 0 |
4l | 420.44 | 4.22 | 5 | 6 | 1 | 178.88 | 0 |
4m | 436.90 | 4.74 | 5 | 6 | 1 | 185.01 | 0 |