Table 5. Molecular properties of compounds 1 through 5.
Properties | 1 | 2 | 3 | 4 | 5 |
mlog P | 2.43 | 2.45 | 1.72 | 3.14 | 3.77 |
tPSA (Å2) | 66.84 | 92.18 | 92.42 | 79.29 | 86.62 |
N atoms | 20 | 21 | 16 | 21 | 22 |
MW | 299.39 | 307.38 | 244.32 | 306.39 | 321.40 |
HBA | 5 | 6 | 5 | 5 | 5 |
HBD | 1 | 2 | 4 | 2 | 3 |
N violations | 0 | 0 | 0 | 0 | 0 |
NRB | 3 | 4 | 3 | 4 | 4 |
Molar volume (Å3) | 268.14 | 265.50 | 213.69 | 269.66 | 281.83 |