ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID03682
Compound NameVulgarisin A
Chemical ClassTerpenoids
Molecular Weight478.668
logP5.385
H-Bond Donor2.00
H-Bond Acceptor6
Caco-2 Permeability1431.872
logSwat-6.595
Number of Primary Metabolites4
Polar Surface Area87.975
Rotatable Bonds8
logKhsa1.109
Number of Reactive Functional Groups2
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-4.358
Blood Brain Barrier (logBB)-0.786
CNS Permeability-1
Lipinski's RO5 Violations1
Jorgensen's RO3 Violations1
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol3137
NPACT   -
TaxKB   -
Structure Download

 






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