ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID03698
Compound Namealkekenginin A
Chemical ClassUnknown
Molecular Weight530.657
logP2.390
H-Bond Donor2.00
H-Bond Acceptor13
Caco-2 Permeability331.578
logSwat-4.863
Number of Primary Metabolites1
Polar Surface Area129.967
Rotatable Bonds5
logKhsa0.019
Number of Reactive Functional Groups5
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-4.672
Blood Brain Barrier (logBB)-1.254
CNS Permeability-2
Lipinski's RO5 Violations1
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol3166
NPACT   -
TaxKB   -
Structure Download

 






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