ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID03217
Compound Name21-beta-acetoxymelianone
Chemical ClassTerpenoids
Molecular Weight512.728
logP5.405
H-Bond Donor0.00
H-Bond Acceptor8
Caco-2 Permeability2227.285
logSwat-6.959
Number of Primary Metabolites3
Polar Surface Area75.167
Rotatable Bonds1
logKhsa1.107
Number of Reactive Functional Groups3
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-4.298
Blood Brain Barrier (logBB)-0.154
CNS Permeability-1
Lipinski's RO5 Violations2
Jorgensen's RO3 Violations1
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol2341
NPACT   -
TaxKB   -
Structure Download

 






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