ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID00872
Compound NameProgallin A
Chemical ClassOrganic Chemicals
Molecular Weight198.175
logP0.181
H-Bond Donor3.00
H-Bond Acceptor4
Caco-2 Permeability113.978
logSwat-1.834
Number of Primary Metabolites3
Polar Surface Area101.376
Rotatable Bonds5
logKhsa-0.580
Number of Reactive Functional Groups1
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-4.097
Blood Brain Barrier (logBB)-1.554
CNS Permeability-2
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations1
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol3022
NPACT   -
TaxKB   -
Structure Download

 






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