EGF-03352 Red

CSc1cccc(N(Cc2ccc(C(=O)NCC(=O)O)cc2)C(=O)N=c2ccc(C)c[nH]2)c1
0.393
Platform Score
2D Structure
EGF-03352
C24H24N4O4S | Exact mass: 464.1518
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
115
TPSA
464
MW
3
HBD
3.6
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 Weight464.50 Da
TPSA114.9 A^2
HBD3
HBA4
SlogP3.59
Fsp30.167
Rotatable Bonds7
Rings3 (3 aromatic)
QED0.462
SA Score2.99 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC24H24N4O4S
Exact Mass464.1518
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.