EGF-00561 Yellow

O=S(=O)(c1ccc(Cl)cc1)c1ncncc1S(=O)(=O)N1CCSCC1
0.544
Platform Score
2D Structure
EGF-00561
C14H14ClN3O4S3 | Exact mass: 418.9835
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
97
TPSA
420
MW
0
HBD
1.7
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 Weight419.90 Da
TPSA97.3 A^2
HBD0
HBA7
SlogP1.70
Fsp30.286
Rotatable Bonds4
Rings3 (2 aromatic)
QED0.695
SA Score2.66 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC14H14ClN3O4S3
Exact Mass418.9835
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes