EGF-02578 Red

Cc1nc2c(S(=O)(=O)Nc3ccc(C(=O)N4CCC(CCO)(Cn5cncn5)CC4)cc3)cccc2s1
0.389
Platform Score
2D Structure
EGF-02578
C25H28N6O4S2 | Exact mass: 540.1613
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
130
TPSA
541
MW
2
HBD
3.3
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 Weight540.70 Da
TPSA130.3 A^2
HBD2
HBA9
SlogP3.30
Fsp30.360
Rotatable Bonds8
Rings5 (4 aromatic)
QED0.351
SA Score2.92 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC25H28N6O4S2
Exact Mass540.1613
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.