EGF-02485 Yellow

CN(C)CCN(C(=O)c1ccc(S(=O)(=O)N(C)C)cc1)c1nc2c(F)cccc2s1
0.491
Platform Score
2D Structure
EGF-02485
C20H23FN4O3S2 | Exact mass: 450.1196
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
74
TPSA
451
MW
0
HBD
2.9
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 Weight450.60 Da
TPSA73.8 A^2
HBD0
HBA6
SlogP2.89
Fsp30.300
Rotatable Bonds7
Rings3 (3 aromatic)
QED0.553
SA Score2.36 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC20H23FN4O3S2
Exact Mass450.1196
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.