ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID03790
Compound Namehexadecanoic acid ethyl ester
Chemical ClassAliphatic natural products
Molecular Weight284.481
logP6.003
H-Bond Donor0.00
H-Bond Acceptor2
Caco-2 Permeability1851.415
logSwat-6.914
Number of Primary Metabolites1
Polar Surface Area39.464
Rotatable Bonds15
logKhsa1.101
Number of Reactive Functional Groups1
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-5.525
Blood Brain Barrier (logBB)-1.243
CNS Permeability-2
Lipinski's RO5 Violations1
Jorgensen's RO3 Violations1
Following Veber's ruleNo
Cross Reference
CancerHSP   Mol3347
NPACT   -
TaxKB   -
Structure Download

 






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