EGF-00881 Yellow

NN=c1sn(Cc2ccccc2)c(=O)n1Cc1ccccc1
0.524
Platform Score
2D Structure
EGF-00881
C16H16N4OS | Exact mass: 312.1045
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
65
TPSA
312
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 Weight312.40 Da
TPSA65.3 A^2
HBD1
HBA6
SlogP1.58
Fsp30.125
Rotatable Bonds4
Rings3 (3 aromatic)
QED0.587
SA Score2.48 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC16H16N4OS
Exact Mass312.1045
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes