EGF-05844 Red

C=CCn1c(SCC(=O)NCCc2ccccc2)nc2scc(-c3ccc(OC)cc3)c2c1=O
0.259
Platform Score
2D Structure
EGF-05844
C26H25N3O3S2 | Exact mass: 491.1337
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
73
TPSA
492
MW
1
HBD
4.8
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 Weight491.60 Da
TPSA73.2 A^2
HBD1
HBA7
SlogP4.77
Fsp30.192
Rotatable Bonds10
Rings4 (4 aromatic)
QED0.197
SA Score2.34 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC26H25N3O3S2
Exact Mass491.1337
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes