Table 4.
Predicted physicochemical properties of 7a-e along with MLN-4760 as a reference by the SwissADME server.
| Compound | MWa (<500) | TPSAb (<140A˚2) | HBAc (<10) | HBDd (<5) | RBe (<5) | LogPf (<5) | Lipinski's Violation |
|---|---|---|---|---|---|---|---|
| 7a | 343.34 | 88.37 | 5 | 0 | 4 | 3.11 | 0 |
| 7b | 343.34 | 88.37 | 5 | 0 | 4 | 3.09 | 0 |
| 7c | 343.34 | 88.37 | 5 | 0 | 4 | 3.08 | 0 |
| 7d | 332.79 | 42.55 | 3 | 0 | 3 | 4.21 | 0 |
| 7e | 314.34 | 62.78 | 4 | 1 | 3 | 3.32 | 0 |
| MLN-4760 (reference) | 428.31 | 104.45 | 6 | 3 | 10 | 2.06 | 0 |
a
Molecular weight.
b
Topological polar surface area.
c
Number of hydrogen bond acceptor.
d
Number of hydrogen bond donor.
e
Number of rotatable bonds.
f
Consensus of calculated lipophilicity.