EGF-03402 Red

CC(=O)Nc1cc(C(=O)Nc2ccc(-c3n[nH]c(=NCCCN(C)C)o3)cc2)cc(C(F)(F)F)c1
0.381
Platform Score
2D Structure
EGF-03402
C23H25F3N6O3 | Exact mass: 490.194
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
116
TPSA
490
MW
3
HBD
3.8
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 Weight490.50 Da
TPSA115.6 A^2
HBD3
HBA6
SlogP3.75
Fsp30.304
Rotatable Bonds8
Rings3 (3 aromatic)
QED0.416
SA Score2.90 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC23H25F3N6O3
Exact Mass490.194
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.