ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID05001
Compound Name(3S,5S)-3-Hydroxy-5-ethoxy-1-(4-hydroxyphenyl)-7-phenyl-6E-heptene
Chemical ClassPolycyclic aromatic natural products
Molecular Weight326.435
logP4.768
H-Bond Donor2.00
H-Bond Acceptor4
Caco-2 Permeability1690.665
logSwat-5.584
Number of Primary Metabolites5
Polar Surface Area48.876
Rotatable Bonds11
logKhsa0.531
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-6.814
Blood Brain Barrier (logBB)-0.986
CNS Permeability-1
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleNo
Cross Reference
CancerHSP   -
NPACT   NPACT01456
TaxKB   -
Structure Download

 






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