ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID05047
Compound Name1,2-Dihydro-1,2,3-trihydroxy-9-(4-methoxyphenyl)phenalene
Chemical ClassUnknown
Molecular Weight322.360
logP2.465
H-Bond Donor3.00
H-Bond Acceptor6
Caco-2 Permeability606.928
logSwat-4.089
Number of Primary Metabolites4
Polar Surface Area70.310
Rotatable Bonds5
logKhsa-0.011
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-5.930
Blood Brain Barrier (logBB)-0.988
CNS Permeability-1
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations0
Following Veber's ruleYes
Cross Reference
CancerHSP   -
NPACT   NPACT01516
TaxKB   -
Structure Download

 






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