Table 3.
TPSA (A2) | HBA | HBD | N rotatable | Volume (A3) | |
---|---|---|---|---|---|
2 | 72.20 | 5 | 1 | 3 | 298.05 |
3 | 72.20 | 5 | 1 | 3 | 298.05 |
4 | 61.20 | 5 | 0 | 19 | 567.60 |
5 | 61.20 | 5 | 0 | 19 | 567.60 |
6 | 55.12 | 4 | 1 | 2 | 279.06 |
9 | 61.20 | 5 | 0 | 6 | 365.77 |
10 | 61.20 | 5 | 0 | 6 | 365.77 |
11 | 109.50 | 7 | 2 | 3 | 362.51 |
12 | 115.57 | 8 | 1 | 7 | 432.62 |
13 | 115.57 | 8 | 1 | 8 | 449.42 |
TPSA, topological polar surface area; HBA, number of hydrogen bond acceptors; HBD, number of hydrogen bond donors; N rotatable, number of rotatable bonds.