EGF-00146 Yellow

COc1cc2c(=Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)[nH]cnc2cc1OCC1CN(C)CCO1
0.516
Platform Score
2D Structure
EGF-00146
C28H28ClFN4O4 | Exact mass: 538.1783
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
81
TPSA
539
MW
1
HBD
4.9
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 Weight539.00 Da
TPSA81.2 A^2
HBD1
HBA7
SlogP4.88
Fsp30.286
Rotatable Bonds8
Rings5 (4 aromatic)
QED0.344
SA Score3.46 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC28H28ClFN4O4
Exact Mass538.1783
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.