EGF-02730 Yellow

O=C(c1ccc(OC2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1)N1CCCCC1
0.504
Platform Score
2D Structure
EGF-02730
C24H27ClN2O3 | Exact mass: 426.171
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
50
TPSA
427
MW
0
HBD
4.7
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 Weight426.90 Da
TPSA49.9 A^2
HBD0
HBA3
SlogP4.65
Fsp30.417
Rotatable Bonds4
Rings4 (2 aromatic)
QED0.715
SA Score2.02 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC24H27ClN2O3
Exact Mass426.171
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.