EGF-07058 Red

Cc1ccc(C(C(=O)NCc2ccccc2)N(Cc2ccco2)C(=O)CNS(=O)(=O)c2ccc3c(c2)OCCO3)cc1
0.245
Platform Score
2D Structure
EGF-07058
C31H31N3O7S | Exact mass: 589.1883
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
127
TPSA
590
MW
2
HBD
3.7
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 Weight589.70 Da
TPSA127.2 A^2
HBD2
HBA7
SlogP3.72
Fsp30.226
Rotatable Bonds11
Rings5 (4 aromatic)
QED0.273
SA Score3.03 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC31H31N3O7S
Exact Mass589.1883
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes