ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID03357
Compound NameAconitine
Chemical ClassTerpenoids
Molecular Weight645.745
logP2.076
H-Bond Donor3.00
H-Bond Acceptor17
Caco-2 Permeability182.306
logSwat-2.389
Number of Primary Metabolites5
Polar Surface Area131.915
Rotatable Bonds12
logKhsa-0.322
Number of Reactive Functional Groups2
Number of Amides0
Number of Amines1
Number of Acids0
loghERG-5.549
Blood Brain Barrier (logBB)-0.884
CNS Permeability-1
Lipinski's RO5 Violations2
Jorgensen's RO3 Violations0
Following Veber's ruleNo
Cross Reference
CancerHSP   Mol2560
NPACT   -
TaxKB   -
Structure Download

 






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