ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID04435
Compound NameHarmaline
Chemical ClassAlkaloids
Molecular Weight214.266
logP2.406
H-Bond Donor1.00
H-Bond Acceptor3
Caco-2 Permeability4468.153
logSwat-3.165
Number of Primary Metabolites5
Polar Surface Area34.037
Rotatable Bonds1
logKhsa0.007
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-4.162
Blood Brain Barrier (logBB)0.188
CNS Permeability1
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   -
NPACT   NPACT00640
TaxKB   -
Structure Download

 






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