EGF-02837 Yellow

O=C(Nc1ccc2c(c1)OCO2)N1CCN(c2nc3ccccc3s2)CC1
0.522
Platform Score
2D Structure
EGF-02837
C19H18N4O3S | Exact mass: 382.11
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
67
TPSA
382
MW
1
HBD
3.4
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 Weight382.40 Da
TPSA66.9 A^2
HBD1
HBA6
SlogP3.38
Fsp30.263
Rotatable Bonds2
Rings5 (3 aromatic)
QED0.736
SA Score2.14 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC19H18N4O3S
Exact Mass382.11
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes