EGF-02910 Red

O=C(Nc1c(F)cccc1F)c1ccc(N=c2cc(-c3cccs3)nc(N3CCOCC3)[nH]2)cc1
0.393
Platform Score
2D Structure
EGF-02910
C25H21F2N5O2S | Exact mass: 493.1384
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
83
TPSA
494
MW
2
HBD
4.7
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 Weight493.50 Da
TPSA82.6 A^2
HBD2
HBA6
SlogP4.74
Fsp30.160
Rotatable Bonds5
Rings5 (4 aromatic)
QED0.421
SA Score2.90 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC25H21F2N5O2S
Exact Mass493.1384
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.