EGF-02039 Yellow

CCn1c(SC)nnc1C1CCN(S(=O)(=O)c2cccs2)CC1
0.538
Platform Score
2D Structure
EGF-02039
C14H20N4O2S3 | Exact mass: 372.0748
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
68
TPSA
372
MW
0
HBD
2.6
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 Weight372.50 Da
TPSA68.1 A^2
HBD0
HBA7
SlogP2.65
Fsp30.571
Rotatable Bonds5
Rings3 (2 aromatic)
QED0.755
SA Score2.49 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC14H20N4O2S3
Exact Mass372.0748
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes