ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID03318
Compound Name5-acetoxyisogoniothalamin oxide
Chemical ClassPolycyclic aromatic natural products
Molecular Weight274.273
logP0.938
H-Bond Donor0.00
H-Bond Acceptor7
Caco-2 Permeability781.469
logSwat-1.521
Number of Primary Metabolites3
Polar Surface Area90.835
Rotatable Bonds1
logKhsa-0.816
Number of Reactive Functional Groups3
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-4.234
Blood Brain Barrier (logBB)-0.446
CNS Permeability0
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol2495
NPACT   -
TaxKB   -
Structure Download

 






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