ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID03719
Compound Namebeta-escin
Chemical ClassTerpenoids
Molecular Weight1131.270
logP-2.041
H-Bond Donor13.00
H-Bond Acceptor37
Caco-2 Permeability0.029
logSwat-3.058
Number of Primary Metabolites17
Polar Surface Area388.163
Rotatable Bonds26
logKhsa-2.106
Number of Reactive Functional Groups5
Number of Amides0
Number of Amines0
Number of Acids1
loghERG-4.142
Blood Brain Barrier (logBB)-7.515
CNS Permeability-2
Lipinski's RO5 Violations3
Jorgensen's RO3 Violations2
Following Veber's ruleNo
Cross Reference
CancerHSP   Mol3194
NPACT   -
TaxKB   -
Structure Download

 






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