EGF-03636 Red

CONC(=O)c1ccc(N=c2nc(F)cc(N3C(=O)OCC3C(C)C)[nH]2)c(Cl)c1
0.394
Platform Score
2D Structure
EGF-03636
C18H19ClFN5O4 | Exact mass: 423.111
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
109
TPSA
424
MW
2
HBD
2.7
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 Weight423.80 Da
TPSA108.9 A^2
HBD2
HBA6
SlogP2.71
Fsp30.333
Rotatable Bonds5
Rings3 (2 aromatic)
QED0.567
SA Score3.96 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC18H19ClFN5O4
Exact Mass423.111
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.