Table 10.
The properties ADME of the seven best compounds selected.
| Entry |
ABS |
TPSA (A2) |
n-ROTB |
MW |
LogP |
n-OHN acceptors |
n-OHNH donors |
Lipinski's violations |
Veber Violations |
Egan Violation |
S.A |
|---|---|---|---|---|---|---|---|---|---|---|---|
| Rule | - | - | - | <500 | ≤5 | <10 | <5 | ≤1 | ≤1 | ≤1 | 0 < S.A<10 |
| 5 | High | 106.38 | 3 | 358.85 | 3.46 | 4 | 1 | 0 | 0 | 0 | 3.47 |
| 9 | Low | 136.89 | 3 | 494.03 | 5.61 | 4 | 1 | 1 | 1 | 1 | 4.18 |
| 14 | Low | 115.16 | 3 | 490.04 | 7.51 | 3 | 0 | 1 | 1 | 1 | 4.14 |
| 16 | High | 81.99 | 2 | 356.87 | 4.32 | 3 | 0 | 0 | 0 | 0 | 3.46 |
| 27 | Low | 99.87 | 3 | 495.42 | 5.71 | 4 | 1 | 1 | 1 | 1 | 3.97 |
| 40 | Low | 118.17 | 2 | 409.89 | 2.37 | 5 | 1 | 0 | 0 | 0 | 4.26 |
| 46 | High | 120.97 | 2 | 408.90 | 2.96 | 4 | 2 | 0 | 0 | 0 | 4.32 |
Abbreviations: ABS: Absorption, TPSA: Topological Polar Surface Area, n-ROTB: Number of Rotatable Bonds, MW: Molecular Weight, Log P: logarithm of partition coefficient of compound between n-octanol and water, n-ONHN acceptors: Number of hydrogen bond acceptors, n-OHNH donors: Number of hydrogen bonds donors, S.A: Synthetic accessibility.