EGF-05797 Red

NC1=NC(CF)(c2cc(NC(=O)c3cccc(Cl)c3)cc(F)c2F)C2CC2O1
0.363
Platform Score
2D Structure
EGF-05797
C19H15ClF3N3O2 | Exact mass: 409.0805
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
77
TPSA
410
MW
2
HBD
3.8
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 Weight409.80 Da
TPSA76.7 A^2
HBD2
HBA4
SlogP3.77
Fsp30.263
Rotatable Bonds4
Rings4 (2 aromatic)
QED0.807
SA Score3.97 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC19H15ClF3N3O2
Exact Mass409.0805
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes