ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID02956
Compound Name(3S)-Methoxy-1,7-bis(4-hydroxyphenyl)-6E-hepten-5-one
Chemical ClassSimple aromatic natural products
Molecular Weight326.391
logP2.889
H-Bond Donor2.00
H-Bond Acceptor5
Caco-2 Permeability538.161
logSwat-2.864
Number of Primary Metabolites5
Polar Surface Area75.894
Rotatable Bonds11
logKhsa-0.010
Number of Reactive Functional Groups1
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-4.420
Blood Brain Barrier (logBB)-1.234
CNS Permeability-2
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleNo
Cross Reference
CancerHSP   Mol1853
NPACT   -
TaxKB   -
Structure Download

 






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