EGF-02768 Red

FC(F)(F)c1ccc(CN=c2[nH]c(N3CCN(CCN=CN4CCCC4)CC3)nc3cc(Cl)sc23)cc1
0.383
Platform Score
2D Structure
EGF-02768
C25H29ClF3N7S | Exact mass: 551.1846
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
63
TPSA
552
MW
1
HBD
4.6
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 Weight552.10 Da
TPSA63.1 A^2
HBD1
HBA6
SlogP4.64
Fsp30.480
Rotatable Bonds7
Rings5 (3 aromatic)
QED0.343
SA Score3.47 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC25H29ClF3N7S
Exact Mass551.1846
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.