ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID04337
Compound NameDesmethylxanthohumol
Chemical ClassFlavonoids
Molecular Weight340.375
logP3.824
H-Bond Donor2.00
H-Bond Acceptor3
Caco-2 Permeability160.440
logSwat-5.140
Number of Primary Metabolites7
Polar Surface Area107.373
Rotatable Bonds10
logKhsa0.561
Number of Reactive Functional Groups1
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-5.841
Blood Brain Barrier (logBB)-1.975
CNS Permeability-2
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations1
Following Veber's ruleYes
Cross Reference
CancerHSP   -
NPACT   NPACT00497
TaxKB   -
Structure Download

 






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