EGF-04798 Red

Cn1c(-c2c3c(=O)n4ccsc4nc3nn2CCCN2CCOCC2)cc2ccccc21
0.333
Platform Score
2D Structure
EGF-04798
C23H24N6O2S | Exact mass: 448.1681
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
70
TPSA
449
MW
0
HBD
3.0
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 Weight448.60 Da
TPSA69.6 A^2
HBD0
HBA9
SlogP2.99
Fsp30.348
Rotatable Bonds5
Rings6 (5 aromatic)
QED0.413
SA Score2.98 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC23H24N6O2S
Exact Mass448.1681
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes