ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID00582
Compound NameIsomorellin
Chemical ClassOrganic Chemicals
Molecular Weight544.643
logP4.664
H-Bond Donor0.00
H-Bond Acceptor8
Caco-2 Permeability375.268
logSwat-5.382
Number of Primary Metabolites8
Polar Surface Area114.961
Rotatable Bonds6
logKhsa0.755
Number of Reactive Functional Groups1
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-4.270
Blood Brain Barrier (logBB)-1.148
CNS Permeability-2
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol1959
NPACT   -
TaxKB   -
Structure Download

 






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