ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID03956
Compound Namedelta-elemene
Chemical ClassTerpenoids
Molecular Weight204.355
logP5.415
H-Bond Donor0.00
H-Bond Acceptor0
Caco-2 Permeability9906.038
logSwat-6.601
Number of Primary Metabolites4
Polar Surface Area0.000
Rotatable Bonds3
logKhsa0.941
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-3.168
Blood Brain Barrier (logBB)1.010
CNS Permeability2
Lipinski's RO5 Violations1
Jorgensen's RO3 Violations1
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol3674
NPACT   -
TaxKB   -
Structure Download

 






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