ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID00254
Compound Name17-chloro-13,16beta-dihydroxy-ent-kauran-19-al
Chemical ClassTerpenoids
Molecular Weight354.916
logP3.852
H-Bond Donor2.00
H-Bond Acceptor4
Caco-2 Permeability1088.721
logSwat-4.731
Number of Primary Metabolites2
Polar Surface Area64.801
Rotatable Bonds3
logKhsa0.658
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-2.977
Blood Brain Barrier (logBB)-0.281
CNS Permeability0
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol0585
NPACT   -
TaxKB   -
Structure Download

 






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