EGF-02266 Yellow

O=C(NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1cccs1
0.491
Platform Score
2D Structure
EGF-02266
C11H7ClN2O5S2 | Exact mass: 345.9485
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
106
TPSA
347
MW
1
HBD
2.4
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 Weight346.80 Da
TPSA106.4 A^2
HBD1
HBA6
SlogP2.43
Fsp3-
Rotatable Bonds4
Rings2 (2 aromatic)
QED0.675
SA Score2.17 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC11H7ClN2O5S2
Exact Mass345.9485
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.