EGF-01245 Yellow

O=S(=O)(c1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1
0.512
Platform Score
2D Structure
EGF-01245
C18H19FN2O6S2 | Exact mass: 442.0669
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
93
TPSA
442
MW
0
HBD
1.3
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 Weight442.50 Da
TPSA93.2 A^2
HBD0
HBA6
SlogP1.29
Fsp30.333
Rotatable Bonds4
Rings4 (2 aromatic)
QED0.709
SA Score2.13 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC18H19FN2O6S2
Exact Mass442.0669
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.