EGF-06474 Red

Cc1cc([N+](=O)[O-])c(C)cc1C(=O)Nc1c(C)cccc1Cl
0.371
Platform Score
2D Structure
EGF-06474
C16H15ClN2O3 | Exact mass: 318.0771
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
72
TPSA
319
MW
1
HBD
4.4
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 Weight318.80 Da
TPSA72.2 A^2
HBD1
HBA3
SlogP4.43
Fsp30.188
Rotatable Bonds3
Rings2 (2 aromatic)
QED0.672
SA Score2.03 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC16H15ClN2O3
Exact Mass318.0771
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.