EGF-02705 Green

O=C(NN1C(=O)CSC1c1cccs1)c1cccc(F)c1
0.564
Platform Score
2D Structure
EGF-02705
C14H11FN2O2S2 | Exact mass: 322.0246
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
49
TPSA
322
MW
1
HBD
2.8
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 Weight322.40 Da
TPSA49.4 A^2
HBD1
HBA4
SlogP2.81
Fsp30.143
Rotatable Bonds3
Rings3 (2 aromatic)
QED0.945
SA Score2.95 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC14H11FN2O2S2
Exact Mass322.0246
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes