ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID03364
Compound NameAculeatol B
Chemical ClassOxygen heterocycles
Molecular Weight408.577
logP4.522
H-Bond Donor2.00
H-Bond Acceptor7
Caco-2 Permeability578.784
logSwat-6.218
Number of Primary Metabolites3
Polar Surface Area85.714
Rotatable Bonds12
logKhsa0.651
Number of Reactive Functional Groups1
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-5.317
Blood Brain Barrier (logBB)-1.595
CNS Permeability-2
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations1
Following Veber's ruleNo
Cross Reference
CancerHSP   Mol2567
NPACT   -
TaxKB   -
Structure Download

 






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