EGF-06429 Red

COC(=O)c1ccc(C2NC(=O)N=C(C)C2C(=O)OC(C)C)cc1
0.379
Platform Score
2D Structure
EGF-06429
C17H20N2O5 | Exact mass: 332.1372
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
94
TPSA
332
MW
1
HBD
2.3
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 Weight332.40 Da
TPSA94.1 A^2
HBD1
HBA5
SlogP2.27
Fsp30.412
Rotatable Bonds4
Rings2 (1 aromatic)
QED0.854
SA Score3.27 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC17H20N2O5
Exact Mass332.1372
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.