ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID00803
Compound NameAtractylenolide I
Chemical ClassTerpenoids
Molecular Weight316.356
logP3.117
H-Bond Donor2.00
H-Bond Acceptor5
Caco-2 Permeability1665.029
logSwat-4.420
Number of Primary Metabolites6
Polar Surface Area74.481
Rotatable Bonds4
logKhsa0.292
Number of Reactive Functional Groups1
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-4.367
Blood Brain Barrier (logBB)-0.437
CNS Permeability0
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol2612
NPACT   -
TaxKB   -
Structure Download

 






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