EGF-02289 Green

COc1ccsc1C(=O)Nc1ccc(N2CCOCC2)nc1
0.589
Platform Score
2D Structure
EGF-02289
C15H17N3O3S | Exact mass: 319.0991
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
1
Hinge Binder
64
TPSA
319
MW
1
HBD
2.2
SlogP
Display Controls
Rotate: drag | Zoom: scroll | Pan: right-drag | Double-click: center Loading...
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 Weight319.40 Da
TPSA63.7 A^2
HBD1
HBA6
SlogP2.24
Fsp30.333
Rotatable Bonds4
Rings3 (2 aromatic)
QED0.936
SA Score2.22 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC15H17N3O3S
Exact Mass319.0991
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder 4-Aminoquinazoline Hinge
InChIKey-
Filter PassYes