EGF-02190 Red

COc1ccc(N=c2[nH]cc(Cl)c(=Nc3cn(C)nc3S(=O)(=O)C(C)C)[nH]2)c(OC(F)F)n1
0.388
Platform Score
2D Structure
EGF-02190
C18H20ClF2N7O4S | Exact mass: 503.0954
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
140
TPSA
504
MW
2
HBD
2.4
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 Weight503.90 Da
TPSA139.6 A^2
HBD2
HBA9
SlogP2.38
Fsp30.333
Rotatable Bonds7
Rings3 (3 aromatic)
QED0.507
SA Score4.02 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC18H20ClF2N7O4S
Exact Mass503.0954
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.