EGF-05006 Red

COc1ccc(-c2nc3nnnn3c3cc(N4CCSCC4)ccc23)cc1OC
0.352
Platform Score
2D Structure
EGF-05006
C20H20N6O2S | Exact mass: 408.1368
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
78
TPSA
408
MW
0
HBD
2.9
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 Weight408.50 Da
TPSA77.7 A^2
HBD0
HBA9
SlogP2.91
Fsp30.300
Rotatable Bonds4
Rings5 (4 aromatic)
QED0.510
SA Score2.69 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC20H20N6O2S
Exact Mass408.1368
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes