ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID02960
Compound Name2-Carboxymethyl-3-phenyl-2,3-epoxy-1,4-naphthoquinone
Chemical ClassPolycyclic aromatic natural products
Molecular Weight300.310
logP0.916
H-Bond Donor0.00
H-Bond Acceptor8
Caco-2 Permeability555.684
logSwat-1.681
Number of Primary Metabolites3
Polar Surface Area95.396
Rotatable Bonds3
logKhsa-0.876
Number of Reactive Functional Groups3
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-4.329
Blood Brain Barrier (logBB)-0.762
CNS Permeability-1
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol1861
NPACT   -
TaxKB   -
Structure Download

 






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