EGF-05866 Red

COc1ccc(C(=O)NC(CC(=O)O)c2ccccc2C)nc1-c1cccc(Cl)c1F
0.306
Platform Score
2D Structure
EGF-05866
C23H20ClFN2O4 | Exact mass: 442.1096
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
88
TPSA
443
MW
2
HBD
4.8
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 Weight442.90 Da
TPSA88.5 A^2
HBD2
HBA4
SlogP4.80
Fsp30.174
Rotatable Bonds7
Rings3 (3 aromatic)
QED0.548
SA Score2.83 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC23H20ClFN2O4
Exact Mass442.1096
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes