Table 7. ADME prediction results.
| Entry | M.W | QPlogSc | PSA | PSA-2Db | AlogP98a |
|---|---|---|---|---|---|
| 14 | 515.654 | −3.702 | 161.25 | 141.462 | 2.511 |
| SAHA | 264.324 | −2.139 | 102.256 | 81.037 | 1.838 |
| BIX-01294 | 476.62 | −6.792 | 50.675 | 63.249 | 4.189 |
aAlogP98 means atom-based LogP (octanol/water), bPSA-2D means 2D fast polar surface area.
cQplogS means predicted aqueous solubility.