ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID02705
Compound NameFumaric acid
Chemical ClassOrganic Chemicals
Molecular Weight116.073
logP-0.268
H-Bond Donor2.00
H-Bond Acceptor4
Caco-2 Permeability4.199
logSwat-0.130
Number of Primary Metabolites0
Polar Surface Area103.534
Rotatable Bonds3
logKhsa-1.220
Number of Reactive Functional Groups2
Number of Amides0
Number of Amines0
Number of Acids2
loghERG0.897
Blood Brain Barrier (logBB)-1.375
CNS Permeability-2
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations1
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol1527
NPACT   -
TaxKB   -
Structure Download

 






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