ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID00333
Compound Name(4R,5S,8R,9R,10S,13S)-ent-17-hydroxy-16-oxobeyeran-19-al
Chemical ClassTerpenoids
Molecular Weight318.455
logP2.804
H-Bond Donor0.00
H-Bond Acceptor5
Caco-2 Permeability612.520
logSwat-3.510
Number of Primary Metabolites2
Polar Surface Area75.185
Rotatable Bonds3
logKhsa0.206
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-3.004
Blood Brain Barrier (logBB)-0.646
CNS Permeability0
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations1
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol0756
NPACT   -
TaxKB   -
Structure Download

 






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