ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID01977
Compound Namerel-(2S,5R,6R,8S,9S,10R,18S,19R)-diace-toxy-18,19-epoxy-6-hydroxy-2-(2-methylbutanoyloxy)cleroda-3,13(16),14-triene
Chemical ClassTerpenoids
Molecular Weight518.646
logP4.542
H-Bond Donor1.00
H-Bond Acceptor9
Caco-2 Permeability411.509
logSwat-5.822
Number of Primary Metabolites4
Polar Surface Area129.416
Rotatable Bonds10
logKhsa0.685
Number of Reactive Functional Groups5
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-4.786
Blood Brain Barrier (logBB)-1.486
CNS Permeability-2
Lipinski's RO5 Violations1
Jorgensen's RO3 Violations1
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol0506
NPACT   -
TaxKB   -
Structure Download

 






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