ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID02436
Compound NameNeocalyxin A
Chemical ClassOrganic Chemicals
Molecular Weight474.509
logP4.385
H-Bond Donor2.00
H-Bond Acceptor7
Caco-2 Permeability333.102
logSwat-6.958
Number of Primary Metabolites7
Polar Surface Area103.560
Rotatable Bonds6
logKhsa0.756
Number of Reactive Functional Groups1
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-6.849
Blood Brain Barrier (logBB)-1.526
CNS Permeability-2
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations2
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol1190
NPACT   -
TaxKB   -
Structure Download

 






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