ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID02706
Compound Namecis-Aconitic acid
Chemical ClassOrganic Chemicals
Molecular Weight174.110
logP-0.165
H-Bond Donor3.00
H-Bond Acceptor6
Caco-2 Permeability0.254
logSwat-0.676
Number of Primary Metabolites1
Polar Surface Area145.389
Rotatable Bonds5
logKhsa-1.382
Number of Reactive Functional Groups2
Number of Amides0
Number of Amines0
Number of Acids3
loghERG2.451
Blood Brain Barrier (logBB)-2.096
CNS Permeability-2
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations1
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol1528
NPACT   -
TaxKB   -
Structure Download

 






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