ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID04503
Compound Name4-nerolidylcatechol
Chemical ClassFlavonoids
Molecular Weight314.467
logP5.259
H-Bond Donor2.00
H-Bond Acceptor2
Caco-2 Permeability1074.888
logSwat-5.693
Number of Primary Metabolites8
Polar Surface Area44.192
Rotatable Bonds10
logKhsa0.991
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-4.940
Blood Brain Barrier (logBB)-1.029
CNS Permeability-2
Lipinski's RO5 Violations1
Jorgensen's RO3 Violations1
Following Veber's ruleYes
Cross Reference
CancerHSP   -
NPACT   NPACT00725
TaxKB   -
Structure Download

 






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