EGF-00294 Yellow

CCCNC(=O)NS(=O)(=O)c1cnc[nH]c1=Nc1cc(Cl)c(OCc2ccc(F)c(F)c2)c(Cl)c1
0.487
Platform Score
2D Structure
EGF-00294
C21H19Cl2F2N5O4S | Exact mass: 545.0503
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
126
TPSA
546
MW
3
HBD
4.2
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 Weight546.40 Da
TPSA125.5 A^2
HBD3
HBA6
SlogP4.20
Fsp30.190
Rotatable Bonds8
Rings3 (3 aromatic)
QED0.391
SA Score3.07 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC21H19Cl2F2N5O4S
Exact Mass545.0503
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes
Retrosynthetic Analysis

Retrosynthetic analysis not yet run for this compound.

About

Retrosynthetic analysis decomposes the target molecule into purchasable building blocks using learned reaction templates.

A feasible route means the molecule can theoretically be synthesized from commercially available starting materials.

Min steps indicates the shortest synthesis route found.