EGF-05641 Red

CC(CN(C)C)C(=O)NCCc1ccc([N+](=O)[O-])c2ccccc12
0.368
Platform Score
2D Structure
EGF-05641
C18H23N3O3 | Exact mass: 329.1739
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
76
TPSA
329
MW
1
HBD
2.6
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 Weight329.40 Da
TPSA75.5 A^2
HBD1
HBA4
SlogP2.60
Fsp30.389
Rotatable Bonds7
Rings2 (2 aromatic)
QED0.626
SA Score2.71 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC18H23N3O3
Exact Mass329.1739
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.