EGF-06998 Red

O=C1Nc2ccc(Cl)cc2C1=Cc1ccc(Oc2ncnc3ccccc23)cc1
0.299
Platform Score
2D Structure
EGF-06998
C23H14ClN3O2 | Exact mass: 399.0775
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
64
TPSA
400
MW
1
HBD
5.6
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 Weight399.80 Da
TPSA64.1 A^2
HBD1
HBA4
SlogP5.57
Fsp3-
Rotatable Bonds3
Rings5 (4 aromatic)
QED0.457
SA Score2.30 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC23H14ClN3O2
Exact Mass399.0775
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes