Table 5.
Drug-like properties of the selected inhibitors from Drug Bank database.
| S. No. | Drug Bank ida | Mol. Wt.b | SASAc | Human oral absorptiond | HB donore | HB acceptorf | QP log Sg |
|---|---|---|---|---|---|---|---|
| 1 | DB08045 | 360.814 | 635.553 | 62.835 | 5 | 4.750 | −3.356 |
| 2 | DB01204 | 446.496 | 741.991 | 24.671 | 4 | 9.900 | −1.112 |
| 3 | DB07766 | 365.383 | 654.056 | 78.131 | 3 | 7.600 | −4.137 |
| 4 | DB01772 | 409.410 | 606.405 | 75.572 | 4 | 7.400 | −3.784 |
| 5 | DB02594 | 227.217 | 424.935 | 50.835 | 4 | 9.100 | −1.529 |
| 6 | DB07715 | 270.237 | 477.959 | 68.395 | 1 | 4.250 | −3.048 |
| 7 | DB07163 | 311.333 | 543.171 | 65.815 | 5 | 4.500 | −2.217 |
| 8 | DB08133 | 316.335 | 557.232 | 62.073 | 3 | 7.000 | −3.355 |
a
Drug Bank inhibitors id.
b
Molecular weight (acceptable range is: ⩽500).
c
Total solvent accessible surface area (acceptable range is: 300–1000).
d
Human oral absorption (acceptable range is: <25% less & >80% high).
e
Hydrogen bond donor (acceptable range is: ⩽5).
f
Hydrogen bond acceptor (acceptable range is: ⩽10).
g
Predicted aqueous solubility (acceptable range is: −6.5 to 0.5).