EGF-06161 Red

O=c1c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc2n1Cc1ccc(F)cc1
0.326
Platform Score
2D Structure
EGF-06161
C23H16FN3O4S | Exact mass: 449.0846
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
101
TPSA
450
MW
2
HBD
3.5
SlogP
Display Controls
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EGFR Docking Result
N/A
kcal/mol (molecular docking)
Docking Rank#- of 1,249
Consensus Score-
ReceptorEGFR (PDB: 1M17)
Selective No
Selectivity Profile
ADMET Profile
BBB (BOILED-Egg) BBB- (non-penetrant)
ADMET Status Pass (no hard fails)
CNS Drug-Likeness
Physicochemical Properties
Molecular Weight449.50 Da
TPSA100.8 A^2
HBD2
HBA6
SlogP3.46
Fsp30.043
Rotatable Bonds3
Rings5 (4 aromatic)
QED0.499
SA Score2.63 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC23H16FN3O4S
Exact Mass449.0846
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes