ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID00723
Compound Name1beta-Hydroxyl-arenobufagin
Chemical ClassCarbohydrates
Molecular Weight432.513
logP1.002
H-Bond Donor4.00
H-Bond Acceptor10
Caco-2 Permeability83.893
logSwat-3.627
Number of Primary Metabolites5
Polar Surface Area137.239
Rotatable Bonds4
logKhsa-0.103
Number of Reactive Functional Groups1
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-3.771
Blood Brain Barrier (logBB)-1.538
CNS Permeability-2
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol2297
NPACT   -
TaxKB   -
Structure Download

 






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