EGF-04047 Red

c1ccc(-c2nc(SCCCn3nnc4ccccc43)nn2-c2ccccc2)cc1
0.356
Platform Score
2D Structure
EGF-04047
C23H20N6S | Exact mass: 412.147
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
61
TPSA
412
MW
0
HBD
4.9
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 Weight412.50 Da
TPSA61.4 A^2
HBD0
HBA7
SlogP4.86
Fsp30.130
Rotatable Bonds7
Rings5 (5 aromatic)
QED0.282
SA Score2.29 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC23H20N6S
Exact Mass412.147
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes