Table 4. Predicted Drug-Likeness and ADMET Properties for Compounds 8b, 8c, and Standard Drugs Fluconazole (FLC), Ravuconazole (RAV), and Itraconazole (ITR).
| cmpd | drug-likenessa | HIAb | bioavailability scorecC | PPBd | hERG inhibitione | CYP3A4 substratee | carcinogenicitye | water solubilitycC |
|---|---|---|---|---|---|---|---|---|
| 8b | yes | 91.8 | 0.55 | 98.9 | medium risk | weakly | negative | moderately soluble |
| 8c | yes | 92.95 | 0.55 | 99.9 | medium risk | substrate | negative | moderately soluble |
| FLC | yes | 95.7 | 0.55 | 55.15 | medium risk | substrate | negative | soluble |
| RAV | yes | 95.58 | 0.55 | 91.44 | medium risk | substrate | negative | moderately soluble |
| ITR | no | 96.6 | 0.17 | 95.3 | medium risk | substrate | negative | poorly soluble |
Lipinski’s rule of 5: MW < 500 Dalton, Log P < 5, hydrogen-bond donors < 5, hydrogen-bond acceptors < 10, rotatable bonds < 10.
Human intestinal absorption (%), calculated by PreADMET.
alculated by SwissADME.
Plasma protein binding, calculated by PreADMET.
Calculated by PreADMET.