ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID03221
Compound Name23-O-acetylcimigenol-3-O-beta-d-xylopyranoside
Chemical ClassSaponin
Molecular Weight662.859
logP2.826
H-Bond Donor4.00
H-Bond Acceptor16
Caco-2 Permeability64.466
logSwat-6.060
Number of Primary Metabolites5
Polar Surface Area170.174
Rotatable Bonds11
logKhsa0.193
Number of Reactive Functional Groups4
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-5.115
Blood Brain Barrier (logBB)-2.635
CNS Permeability-2
Lipinski's RO5 Violations1
Jorgensen's RO3 Violations1
Following Veber's ruleNo
Cross Reference
CancerHSP   Mol2348
NPACT   -
TaxKB   -
Structure Download

 






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