EGF-03424 Yellow

Cc1[nH]c(C)c(S(=O)(=O)N2CCN(c3ccccc3F)CC2)c1C(=O)N1CCCCC1
0.510
Platform Score
2D Structure
EGF-03424
C22H29FN4O3S | Exact mass: 448.1944
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
77
TPSA
449
MW
1
HBD
2.9
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 Weight448.60 Da
TPSA76.7 A^2
HBD1
HBA4
SlogP2.91
Fsp30.500
Rotatable Bonds4
Rings4 (2 aromatic)
QED0.780
SA Score2.38 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC22H29FN4O3S
Exact Mass448.1944
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.