EGF-04226 Red

COc1ccc(N=Nc2c(O)nc(S(=O)(=O)Cc3ccc(Br)cc3)n(-c3ccc(OC)cc3)c2=O)cc1
0.263
Platform Score
2D Structure
EGF-04226
C25H21BrN4O6S | Exact mass: 584.0365
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
132
TPSA
585
MW
1
HBD
5.1
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 Weight585.40 Da
TPSA132.4 A^2
HBD1
HBA10
SlogP5.11
Fsp30.120
Rotatable Bonds8
Rings4 (4 aromatic)
QED0.225
SA Score2.85 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC25H21BrN4O6S
Exact Mass584.0365
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes