EGF-05991 Red

COc1ccc(C(CNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)N2CCOCC2)cc1OC
0.338
Platform Score
2D Structure
EGF-05991
C26H35N3O6S | Exact mass: 517.2247
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
97
TPSA
518
MW
1
HBD
2.7
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 Weight517.60 Da
TPSA97.4 A^2
HBD1
HBA7
SlogP2.68
Fsp30.500
Rotatable Bonds9
Rings4 (2 aromatic)
QED0.546
SA Score2.75 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC26H35N3O6S
Exact Mass517.2247
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes