ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID00496
Compound NameAnticancer Benzenoid PMV70P691-58
Chemical ClassSimple aromatic natural products
Molecular Weight196.202
logP0.568
H-Bond Donor2.00
H-Bond Acceptor5
Caco-2 Permeability559.763
logSwat-1.578
Number of Primary Metabolites3
Polar Surface Area76.735
Rotatable Bonds5
logKhsa-0.627
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-3.794
Blood Brain Barrier (logBB)-0.846
CNS Permeability-1
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations1
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol1699
NPACT   -
TaxKB   -
Structure Download

 






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