EGF-04940 Red

CCC=NN=c1scc(-c2ccccc2)n1C1CCCCC1
0.347
Platform Score
2D Structure
EGF-04940
C18H23N3S | Exact mass: 313.1613
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
30
TPSA
314
MW
0
HBD
5.0
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 Weight313.50 Da
TPSA29.6 A^2
HBD0
HBA4
SlogP5.02
Fsp30.444
Rotatable Bonds4
Rings3 (2 aromatic)
QED0.560
SA Score2.72 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC18H23N3S
Exact Mass313.1613
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes