EGF-01940 Red

Cc1ccc(C(=O)N=c2cc(C(F)(F)F)[nH][nH]2)cc1N=c1[nH]cnc2ccc(Br)cc12
0.392
Platform Score
2D Structure
EGF-01940
C20H14BrF3N6O | Exact mass: 490.0365
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
102
TPSA
491
MW
3
HBD
4.3
SlogP
Display Controls
Rotate: drag | Zoom: scroll | Pan: right-drag | Double-click: center Loading...
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 Weight491.30 Da
TPSA102.0 A^2
HBD3
HBA3
SlogP4.28
Fsp30.100
Rotatable Bonds2
Rings4 (4 aromatic)
QED0.390
SA Score3.65 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC20H14BrF3N6O
Exact Mass490.0365
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.