ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID03005
Compound NameLupulone A
Chemical ClassOrganic Chemicals
Molecular Weight412.568
logP5.756
H-Bond Donor0.00
H-Bond Acceptor5
Caco-2 Permeability2001.698
logSwat-6.157
Number of Primary Metabolites8
Polar Surface Area67.354
Rotatable Bonds8
logKhsa1.118
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-4.405
Blood Brain Barrier (logBB)-0.610
CNS Permeability0
Lipinski's RO5 Violations1
Jorgensen's RO3 Violations2
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol1939
NPACT   -
TaxKB   -
Structure Download

 






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