ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID00727
Compound Name2-acetyl-1,2,3,4-tetrahydro-beta-carboline
Chemical ClassAlkaloids
Molecular Weight214.266
logP1.806
H-Bond Donor1.00
H-Bond Acceptor3
Caco-2 Permeability1050.145
logSwat-2.256
Number of Primary Metabolites2
Polar Surface Area44.609
Rotatable Bonds0
logKhsa-0.242
Number of Reactive Functional Groups0
Number of Amides1
Number of Amines0
Number of Acids0
loghERG-2.786
Blood Brain Barrier (logBB)-0.053
CNS Permeability0
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol2319
NPACT   -
TaxKB   -
Structure Download

 






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