EGF-07044 Red

COc1ncc(-c2ccc3ncc(=NCc4ccncc4)[nH]c3c2)cc1NS(=O)(=O)c1ccc(Cl)cc1
0.237
Platform Score
2D Structure
EGF-07044
C26H21ClN6O3S | Exact mass: 532.1084
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
122
TPSA
533
MW
2
HBD
4.6
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 Weight533.00 Da
TPSA122.2 A^2
HBD2
HBA7
SlogP4.58
Fsp30.077
Rotatable Bonds7
Rings5 (5 aromatic)
QED0.316
SA Score2.96 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC26H21ClN6O3S
Exact Mass532.1084
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes