ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID03363
Compound NameAculeatol A
Chemical ClassOxygen heterocycles
Molecular Weight408.577
logP4.530
H-Bond Donor2.00
H-Bond Acceptor7
Caco-2 Permeability558.090
logSwat-6.471
Number of Primary Metabolites3
Polar Surface Area85.405
Rotatable Bonds12
logKhsa0.651
Number of Reactive Functional Groups1
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-5.547
Blood Brain Barrier (logBB)-1.662
CNS Permeability-2
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations1
Following Veber's ruleNo
Cross Reference
CancerHSP   Mol2566
NPACT   -
TaxKB   -
Structure Download

 






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