ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID01931
Compound Nameatractylenolide ?
Chemical ClassTerpenoids
Molecular Weight230.306
logP2.889
H-Bond Donor0.00
H-Bond Acceptor3
Caco-2 Permeability2371.562
logSwat-3.592
Number of Primary Metabolites4
Polar Surface Area41.026
Rotatable Bonds0
logKhsa0.257
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-3.373
Blood Brain Barrier (logBB)0.031
CNS Permeability1
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol0383
NPACT   -
TaxKB   -
Structure Download

 






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