ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID01031
Compound Name3-beta-acetoxy-8-beta-isobutyryloxyreynosin
Chemical ClassTerpenoids
Molecular Weight392.448
logP1.969
H-Bond Donor1.00
H-Bond Acceptor9
Caco-2 Permeability169.406
logSwat-3.938
Number of Primary Metabolites5
Polar Surface Area128.487
Rotatable Bonds5
logKhsa-0.022
Number of Reactive Functional Groups2
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-4.060
Blood Brain Barrier (logBB)-1.438
CNS Permeability-2
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   -
NPACT   NPACT00121
TaxKB   -
Structure Download

 






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