EGF-04317 Red

CS(=O)(=O)Nc1ccc([S+]([O-])NC(O)CC2c3ccsc3CCN2C(=O)Nc2ccccc2F)cc1
0.271
Platform Score
2D Structure
EGF-04317
C23H25FN4O5S3 | Exact mass: 552.0971
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
134
TPSA
553
MW
4
HBD
3.4
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 Weight552.70 Da
TPSA133.8 A^2
HBD4
HBA7
SlogP3.41
Fsp30.261
Rotatable Bonds8
Rings4 (3 aromatic)
QED0.250
SA Score4.19 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC23H25FN4O5S3
Exact Mass552.0971
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes