ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID02981
Compound NameAnticancer Phenylphenalone PMV70-P691-129
Chemical ClassPolycyclic aromatic natural products
Molecular Weight322.360
logP2.397
H-Bond Donor3.00
H-Bond Acceptor6
Caco-2 Permeability861.244
logSwat-3.551
Number of Primary Metabolites4
Polar Surface Area70.884
Rotatable Bonds5
logKhsa-0.055
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-5.315
Blood Brain Barrier (logBB)-0.751
CNS Permeability-1
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol1902
NPACT   -
TaxKB   -
Structure Download

 






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