ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID04619
Compound NameRapanone
Chemical ClassPolycyclic aromatic natural products
Molecular Weight322.444
logP3.255
H-Bond Donor2.00
H-Bond Acceptor6
Caco-2 Permeability154.390
logSwat-4.945
Number of Primary Metabolites3
Polar Surface Area98.766
Rotatable Bonds14
logKhsa0.220
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-5.451
Blood Brain Barrier (logBB)-2.408
CNS Permeability-2
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleNo
Cross Reference
CancerHSP   -
NPACT   NPACT00896
TaxKB   -
Structure Download

 






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