EGF-01119 Yellow

CONN(C)c1nnnn1-c1ccc(Cl)c(Br)c1
0.546
Platform Score
2D Structure
EGF-01119
C9H10BrClN6O | Exact mass: 331.9788
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
68
TPSA
334
MW
1
HBD
1.6
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 Weight333.60 Da
TPSA68.1 A^2
HBD1
HBA7
SlogP1.58
Fsp30.222
Rotatable Bonds4
Rings2 (2 aromatic)
QED0.857
SA Score3.19 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC9H10BrClN6O
Exact Mass331.9788
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes