EGF-01163 Yellow

Cn1[nH]c(C(F)(F)F)c(C(=O)NCc2ccco2)c1=NS(=O)(=O)c1ccccc1
0.493
Platform Score
2D Structure
EGF-01163
C17H15F3N4O4S | Exact mass: 428.0766
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
110
TPSA
428
MW
2
HBD
2.2
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 Weight428.40 Da
TPSA109.5 A^2
HBD2
HBA5
SlogP2.18
Fsp30.176
Rotatable Bonds5
Rings3 (3 aromatic)
QED0.649
SA Score2.97 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC17H15F3N4O4S
Exact Mass428.0766
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.