ADMETCan- Database of Predicted ADMET for AntiCancer Phytomolecules
Compound IDCID02944
Compound Name(3S,5R,6S,7R)-5,6-Dihydroxy-1,7-bis(4-hydroxyphenyl)-de-O-methylcentrolobine
Chemical ClassUnknown
Molecular Weight330.380
logP1.948
H-Bond Donor4.00
H-Bond Acceptor7
Caco-2 Permeability172.854
logSwat-3.883
Number of Primary Metabolites7
Polar Surface Area93.949
Rotatable Bonds7
logKhsa-0.116
Number of Reactive Functional Groups0
Number of Amides0
Number of Amines0
Number of Acids0
loghERG-5.776
Blood Brain Barrier (logBB)-1.682
CNS Permeability-2
Lipinski's RO5 Violations0
Jorgensen's RO3 Violations1
Following Veber's ruleYes
Cross Reference
CancerHSP   Mol1841
NPACT   -
TaxKB   -
Structure Download

 






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