ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID04436
Compound NameHarmane
Chemical ClassAlkaloids
Molecular Weight182.224
logP2.953
H-Bond Donor1.00
H-Bond Acceptor1
Caco-2 Permeability4330.184
logSwat-3.208
Number of Primary Metabolites2
Polar Surface Area25.333
Rotatable Bonds0
logKhsa0.161
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-4.465
Blood Brain Barrier (logBB)0.252
CNS Permeability1
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   -
NPACT   NPACT00642
TaxKB   -
Structure Download

 






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