ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID00587
Compound NameDemethylauraptenol
Chemical ClassBenzopyranoids
Molecular Weight246.262
logP1.610
H-Bond Donor2.00
H-Bond Acceptor5
Caco-2 Permeability528.280
logSwat-2.578
Number of Primary Metabolites4
Polar Surface Area79.739
Rotatable Bonds5
logKhsa-0.268
Number of Reactive Functional Groups1
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-4.415
Blood Brain Barrier (logBB)-0.886
CNS Permeability-1
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol1967
NPACT   -
TaxKB   -
Structure Download

 






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