ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID01413
Compound Namedeca-4,6-diyn-2-(Z)-enoic methyl ester
Chemical ClassOrganic Chemicals
Molecular Weight180.246
logP3.202
H-Bond Donor0.00
H-Bond Acceptor2
Caco-2 Permeability2734.541
logSwat-3.595
Number of Primary Metabolites1
Polar Surface Area36.144
Rotatable Bonds7
logKhsa0.100
Number of Reactive Functional Groups1
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-4.748
Blood Brain Barrier (logBB)-0.438
CNS Permeability0
Lipinski's RO5 Violations1
Jorgensen's RO3 Violations1
Following Veber's ruleYes
Cross Reference
CancerHSP   -
NPACT   NPACT01448
TaxKB   -
Structure Download

 






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