ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID05026
Compound Name(3S)-Methoxy-1,7-bis(4-hydroxyphenyl)-6E-hepten-5-one
Chemical ClassPolycyclic aromatic natural products
Molecular Weight326.391
logP3.402
H-Bond Donor2.00
H-Bond Acceptor5
Caco-2 Permeability406.477
logSwat-4.265
Number of Primary Metabolites5
Polar Surface Area78.289
Rotatable Bonds11
logKhsa0.167
Number of Reactive Functional Groups1
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-6.050
Blood Brain Barrier (logBB)-1.572
CNS Permeability-2
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleNo
Cross Reference
CancerHSP   -
NPACT   NPACT01493
TaxKB   -
Structure Download

 






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