EGF-01666 Yellow

Cc1c(C(N)=O)sc(NS(=O)(=O)c2ccc(Br)cc2)c1C#N
0.532
Platform Score
2D Structure
EGF-01666
C13H10BrN3O3S2 | Exact mass: 398.9347
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
113
TPSA
400
MW
2
HBD
2.6
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 Weight400.30 Da
TPSA113.0 A^2
HBD2
HBA5
SlogP2.59
Fsp30.077
Rotatable Bonds4
Rings2 (2 aromatic)
QED0.821
SA Score2.37 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC13H10BrN3O3S2
Exact Mass398.9347
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes