ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID04119
Compound NameAculeatol E
Chemical ClassPolycyclic aromatic natural products
Molecular Weight436.631
logP5.086
H-Bond Donor2.00
H-Bond Acceptor7
Caco-2 Permeability595.547
logSwat-6.474
Number of Primary Metabolites3
Polar Surface Area81.280
Rotatable Bonds14
logKhsa0.789
Number of Reactive Functional Groups1
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-5.470
Blood Brain Barrier (logBB)-1.711
CNS Permeability-2
Lipinski's RO5 Violations1
Jorgensen's RO3 Violations1
Following Veber's ruleNo
Cross Reference
CancerHSP   -
NPACT   NPACT00217
TaxKB   -
Structure Download

 






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