ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID04003
Compound Name15-alpha-acetyl dehydrosulphurenic acid
Chemical ClassTerpenoids
Molecular Weight512.728
logP6.799
H-Bond Donor2.00
H-Bond Acceptor6
Caco-2 Permeability134.489
logSwat-8.200
Number of Primary Metabolites7
Polar Surface Area95.925
Rotatable Bonds8
logKhsa1.447
Number of Reactive Functional Groups1
Number of Amides0
Number of Amines0
Number of Acids1
loghERG-3.246
Blood Brain Barrier (logBB)-1.328
CNS Permeability-2
Lipinski's RO5 Violations2
Jorgensen's RO3 Violations2
Following Veber's ruleYes
Cross Reference
CancerHSP   -
NPACT   NPACT00043
TaxKB   -
Structure Download

 






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