EGF-01221 Green

CC(C)(C)n1cc(NS(=O)(=O)c2ccc(Br)cc2)cn1
0.609
Platform Score
2D Structure
EGF-01221
C13H16BrN3O2S | Exact mass: 357.0147
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
64
TPSA
358
MW
1
HBD
3.2
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 Weight358.30 Da
TPSA64.0 A^2
HBD1
HBA4
SlogP3.20
Fsp30.308
Rotatable Bonds3
Rings2 (2 aromatic)
QED0.917
SA Score2.29 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC13H16BrN3O2S
Exact Mass357.0147
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes