EGF-06052 Red

OC(CNC1CCc2ccc(Oc3ccccc3)cc2C1)c1nc(Cl)cs1
0.334
Platform Score
2D Structure
EGF-06052
C21H21ClN2O2S | Exact mass: 400.1012
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
54
TPSA
401
MW
2
HBD
4.8
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 Weight400.90 Da
TPSA54.4 A^2
HBD2
HBA5
SlogP4.77
Fsp30.286
Rotatable Bonds6
Rings4 (3 aromatic)
QED0.625
SA Score3.33 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC21H21ClN2O2S
Exact Mass400.1012
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes