ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID03803
Compound Nameisobruceine B
Chemical ClassTerpenoids
Molecular Weight480.468
logP-0.009
H-Bond Donor2.00
H-Bond Acceptor14
Caco-2 Permeability57.318
logSwat-2.700
Number of Primary Metabolites7
Polar Surface Area189.447
Rotatable Bonds5
logKhsa-0.668
Number of Reactive Functional Groups2
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-3.738
Blood Brain Barrier (logBB)-1.807
CNS Permeability-2
Lipinski's RO5 Violations1
Jorgensen's RO3 Violations1
Following Veber's ruleNo
Cross Reference
CancerHSP   Mol3374
NPACT   -
TaxKB   -
Structure Download

 






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