EGF-06196 Red

O=S(=O)(c1ccc(-c2ccc(CNCC[S+]([O-])c3ccccc3)cc2)cc1)N1CCOCC1
0.306
Platform Score
2D Structure
EGF-06196
C25H28N2O4S2 | Exact mass: 484.149
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
82
TPSA
485
MW
1
HBD
3.3
SlogP
Display Controls
Rotate: drag | Zoom: scroll | Pan: right-drag | Double-click: center Loading...
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 Weight484.60 Da
TPSA81.7 A^2
HBD1
HBA5
SlogP3.27
Fsp30.280
Rotatable Bonds9
Rings4 (3 aromatic)
QED0.372
SA Score3.14 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC25H28N2O4S2
Exact Mass484.149
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes