ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID04597
Compound NameP-hydroxymethoxybenzobijuglone
Chemical ClassPolycyclic aromatic natural products
Molecular Weight416.343
logP1.261
H-Bond Donor0.00
H-Bond Acceptor8
Caco-2 Permeability45.093
logSwat-2.990
Number of Primary Metabolites4
Polar Surface Area161.718
Rotatable Bonds4
logKhsa-0.475
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-5.434
Blood Brain Barrier (logBB)-1.983
CNS Permeability-2
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   -
NPACT   NPACT00863
TaxKB   -
Structure Download

 






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