EGF-02833 Red

CCOc1cc(C=NNC(=O)Cn2c([N+](=O)[O-])cnc2C)ccc1O
0.374
Platform Score
2D Structure
EGF-02833
C15H17N5O5 | Exact mass: 347.123
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
132
TPSA
347
MW
2
HBD
1.4
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 Weight347.30 Da
TPSA131.9 A^2
HBD2
HBA8
SlogP1.35
Fsp30.267
Rotatable Bonds7
Rings2 (2 aromatic)
QED0.441
SA Score2.58 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC15H17N5O5
Exact Mass347.123
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.