EGF-06039 Red

COc1ccc(-n2c(SCCN)nc3c(ccc4ccccc43)c2=O)cc1
0.321
Platform Score
2D Structure
EGF-06039
C21H19N3O2S | Exact mass: 377.1198
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
70
TPSA
378
MW
1
HBD
3.6
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 Weight377.50 Da
TPSA70.1 A^2
HBD1
HBA6
SlogP3.60
Fsp30.143
Rotatable Bonds5
Rings4 (4 aromatic)
QED0.327
SA Score2.19 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC21H19N3O2S
Exact Mass377.1198
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes