EGF-01115 Yellow

O=C(Nc1ccc(Cl)c(Cl)c1)OCc1cc([N+](=O)[O-])c(O)o1
0.496
Platform Score
2D Structure
EGF-01115
C12H8Cl2N2O6 | Exact mass: 345.9759
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
115
TPSA
347
MW
2
HBD
4.0
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 Weight347.10 Da
TPSA114.8 A^2
HBD2
HBA6
SlogP3.95
Fsp30.083
Rotatable Bonds4
Rings2 (2 aromatic)
QED0.639
SA Score2.59 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC12H8Cl2N2O6
Exact Mass345.9759
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.