EGF-05949 Red

N#Cc1ccc(C(O)CNC(=O)c2nsc3ccccc23)nc1
0.358
Platform Score
2D Structure
EGF-05949
C16H12N4O2S | Exact mass: 324.0681
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
99
TPSA
324
MW
2
HBD
2.0
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 Weight324.40 Da
TPSA98.9 A^2
HBD2
HBA6
SlogP2.03
Fsp30.125
Rotatable Bonds4
Rings3 (3 aromatic)
QED0.765
SA Score3.02 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC16H12N4O2S
Exact Mass324.0681
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes