ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID01916
Compound Nameeupatocunoxin
Chemical ClassTerpenoids
Molecular Weight420.458
logP1.747
H-Bond Donor1.00
H-Bond Acceptor11
Caco-2 Permeability361.248
logSwat-3.368
Number of Primary Metabolites8
Polar Surface Area136.128
Rotatable Bonds5
logKhsa-0.262
Number of Reactive Functional Groups3
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-3.834
Blood Brain Barrier (logBB)-1.077
CNS Permeability-2
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations1
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol0352
NPACT   -
TaxKB   -
Structure Download

 






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