EGF-03758 Red

CN(C)c1cc2nc([S+]([O-])Cc3cccc(F)c3)[nH]c2cc1NC(=O)c1cccc([N+](=O)[O-])c1F
0.285
Platform Score
2D Structure
EGF-03758
C23H19F2N5O4S | Exact mass: 499.1126
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
127
TPSA
500
MW
2
HBD
4.4
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 Weight499.50 Da
TPSA127.2 A^2
HBD2
HBA6
SlogP4.38
Fsp30.130
Rotatable Bonds7
Rings4 (4 aromatic)
QED0.221
SA Score3.79 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC23H19F2N5O4S
Exact Mass499.1126
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes