ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID04115
Compound NameAculeatin A
Chemical ClassPolycyclic aromatic natural products
Molecular Weight418.615
logP6.129
H-Bond Donor1.00
H-Bond Acceptor5
Caco-2 Permeability947.483
logSwat-7.640
Number of Primary Metabolites1
Polar Surface Area65.687
Rotatable Bonds13
logKhsa1.218
Number of Reactive Functional Groups1
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-5.858
Blood Brain Barrier (logBB)-1.459
CNS Permeability-2
Lipinski's RO5 Violations1
Jorgensen's RO3 Violations1
Following Veber's ruleNo
Cross Reference
CancerHSP   -
NPACT   NPACT00213
TaxKB   -
Structure Download

 






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