EGF-03644 Red

O=C(NCc1ccco1)c1ccc(CSc2nc3ccccc3c(=O)n2Cc2ccc(F)cc2)cc1
0.340
Platform Score
2D Structure
EGF-03644
C28H22FN3O3S | Exact mass: 499.1366
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
77
TPSA
500
MW
1
HBD
5.4
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 Weight499.60 Da
TPSA77.1 A^2
HBD1
HBA6
SlogP5.40
Fsp30.107
Rotatable Bonds8
Rings5 (5 aromatic)
QED0.229
SA Score2.21 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC28H22FN3O3S
Exact Mass499.1366
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes