ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID04116
Compound NameAculeatin B
Chemical ClassPolycyclic aromatic natural products
Molecular Weight418.615
logP6.082
H-Bond Donor1.00
H-Bond Acceptor5
Caco-2 Permeability2409.204
logSwat-6.550
Number of Primary Metabolites1
Polar Surface Area61.426
Rotatable Bonds13
logKhsa1.074
Number of Reactive Functional Groups1
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-5.271
Blood Brain Barrier (logBB)-0.897
CNS Permeability-1
Lipinski's RO5 Violations1
Jorgensen's RO3 Violations1
Following Veber's ruleNo
Cross Reference
CancerHSP   -
NPACT   NPACT00214
TaxKB   -
Structure Download

 






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