Table 6 ADME properties of the selected compounds predicted using SwissADME web server
Property | Geniposide | Estradiol |
|---|---|---|
MW | 388.37 | 272.38 |
Consensus LogPo/w | -1.25 | 3.40 |
Log S (ESOL) | Very soluble | Moderately soluble |
#Rotatable bonds | 6 | 0 |
#H-bond acceptors | 10 | 2 |
#H-bond donors | 5 | 2 |
MR | 86.89 | 81.03 |
TPSA | 155.14 | 40.46 |
Lipinski violations | 0 | 0 |
Ghose violations | 1 | 0 |
Veber violations | 1 | 0 |
Egan violations | 1 | 0 |
Muegge violations | 2 | 0 |
Bioavailability score | 0.11 | 0.55 |
PAINS alerts | 0 | 0 |
Brenk alerts | 1 | 0 |
Leadlikeness violations | 1 | 1 |
GI absorption | Low | High |
BBB permeant | No | Yes |
P-gp substrate | No | Yes |
CYP1A2 inhibitor | No | No |
CYP2C19 inhibitor | No | No |
CYP2C9 inhibitor | No | No |
CYP2D6 inhibitor | No | Yes |
CYP3A4 inhibitor | No | No |