EGF-05542 Red

COCCN1C=C(C(=O)OC)C(c2ccc(Cl)cc2)C(C(=O)OC)=C1
0.394
Platform Score
2D Structure
EGF-05542
C18H20ClNO5 | Exact mass: 365.103
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
65
TPSA
366
MW
0
HBD
2.5
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 Weight365.80 Da
TPSA65.1 A^2
HBD0
HBA6
SlogP2.50
Fsp30.333
Rotatable Bonds6
Rings2 (1 aromatic)
QED0.722
SA Score2.65 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC18H20ClNO5
Exact Mass365.103
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.