ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID03150
Compound Name(3beta,5beta,14beta,16beta,20Z)-16-acetoxy-14,15-epoxy-3-hydroxy-24-norcholan-20(22)-en-21-al
Chemical ClassFlavonoids
Molecular Weight430.583
logP3.434
H-Bond Donor1.00
H-Bond Acceptor8
Caco-2 Permeability399.595
logSwat-5.361
Number of Primary Metabolites4
Polar Surface Area96.686
Rotatable Bonds4
logKhsa0.562
Number of Reactive Functional Groups3
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-4.011
Blood Brain Barrier (logBB)-1.043
CNS Permeability-2
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol2212
NPACT   -
TaxKB   -
Structure Download

 






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