ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID02542
Compound Name3'-(gamma-Hydroxymethyl-(E)-gamma-methylallyl)-2,4,2',4'-tetrahydroxychalcone 11'-O-coumarate
Chemical ClassOrganic Chemicals
Molecular Weight502.520
logP4.193
H-Bond Donor4.00
H-Bond Acceptor7
Caco-2 Permeability16.002
logSwat-6.768
Number of Primary Metabolites8
Polar Surface Area162.606
Rotatable Bonds16
logKhsa0.633
Number of Reactive Functional Groups2
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-7.598
Blood Brain Barrier (logBB)-3.982
CNS Permeability-2
Lipinski's RO5 Violations1
Jorgensen's RO3 Violations3
Following Veber's ruleNo
Cross Reference
CancerHSP   Mol1320
NPACT   -
TaxKB   -
Structure Download

 






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