EGF-05926 Red

O=C(CSc1ccc(-c2cc3ccccc3n3nnnc23)nn1)Nc1ccccc1
0.320
Platform Score
2D Structure
EGF-05926
C21H15N7OS | Exact mass: 413.1059
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
98
TPSA
414
MW
1
HBD
3.5
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 Weight413.50 Da
TPSA98.0 A^2
HBD1
HBA8
SlogP3.47
Fsp30.048
Rotatable Bonds5
Rings5 (5 aromatic)
QED0.441
SA Score2.46 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC21H15N7OS
Exact Mass413.1059
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes