EGF-01856 Yellow

COc1c(NC(C)=O)ccc(Cl)c1NS(=O)(=O)c1ccc(F)c(C(=O)O)c1
0.499
Platform Score
2D Structure
EGF-01856
C16H14ClFN2O6S | Exact mass: 416.0245
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
122
TPSA
417
MW
3
HBD
3.0
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 Weight416.80 Da
TPSA121.8 A^2
HBD3
HBA5
SlogP2.95
Fsp30.125
Rotatable Bonds6
Rings2 (2 aromatic)
QED0.665
SA Score2.33 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC16H14ClFN2O6S
Exact Mass416.0245
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.