ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID00935
Compound Nameisolushinin D
Chemical ClassTerpenoids
Molecular Weight404.502
logP2.344
H-Bond Donor1.00
H-Bond Acceptor9
Caco-2 Permeability1491.709
logSwat-3.229
Number of Primary Metabolites2
Polar Surface Area81.937
Rotatable Bonds4
logKhsa-0.093
Number of Reactive Functional Groups2
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-3.201
Blood Brain Barrier (logBB)-0.386
CNS Permeability-1
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations2
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol3381
NPACT   -
TaxKB   -
Structure Download

 






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