Table 2 Different ADMET parameters of aesculin derivatives
Compound(s) | ADMET profile | ||||||
|---|---|---|---|---|---|---|---|
No. of rotatable bond | DonorHB | AcceptHB | QPlogPo/w | QPlogBB | QPPMDCK | QPPCaco | |
Compound 1 | 1 | 5 | 11 | 0.648 | − 2.227 | 36.288 | 89.19 |
Compound 2 | 2 | 6 | 12 | − 0.22 | − 2.842 | 9.9130 | 26.85 |
Aesculin | 2 | 4 | 10 | − 0.21 | − 3–21 | 23.33 | 21.21 |
Streptomycin | 9 | 12 | 15 | − 2.06 | − 4.20 | 0.78 | 3 |
Ciprofloxacin | 3 | 2 | 6 | − 1.02 | 2.23 | 0.80 | 4 |
Ampicillin | 4 | 3 | 5 | − 1.35 | 0.99 | 0.90 | 0.89 |
Fluconazole | 5 | 1 | 5 | − 2.32 | 0.88 | 0.87 | 0.93 |