Table 4 ADMET-properties of the sugar mimetic isoxazoline molecules by use of Discovery Studio 2.5 version
From: Anti-cancer activity of novel dibenzo[b,f]azepine tethered isoxazoline derivatives
| Compounds | BBB | Solubility | Hepatotoxicity | CYP2D6 | PPB level | ADMET_AlogP98 | ADMET_PSA_2D |
|---|---|---|---|---|---|---|---|
| 4a | 0.42 | -6.73 | 0.96 | 0.90 | 2 | 5.28 | 66.42 |
| 4b | 0.42 | -6.70 | 0.94 | 0.84 | 2 | 5.28 | 66.42 |
| 4c | 0.69 | -6.49 | 0.80 | 0.83 | 2 | 5.33 | 50.39 |
| 4d | 0.99 | -6.64 | 0.93 | 0.92 | 2 | 5.37 | 32.53 |
| 4e | 0.73 | -6.13 | 0.92 | 0.92 | 2 | 4.66 | 34.86 |
| 4f | 1.13 | -6.76 | 0.95 | 0.96 | 2 | 5.38 | 23.60 |
| 4g | 1.34 | -7.36 | 0.91 | 0.85 | 2 | 5.98 | 23.60 |
| 4h | 1.26 | -7.20 | 0.96 | 0.75 | 2 | 5.79 | 23.60 |