EGF-00968 Green

CCOc1cccnc1N1CCN(C(=O)c2cn3ccsc3n2)CC1
0.583
Platform Score
2D Structure
EGF-00968
C17H19N5O2S | Exact mass: 357.1259
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
1
Hinge Binder
63
TPSA
357
MW
0
HBD
2.1
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 Weight357.40 Da
TPSA63.0 A^2
HBD0
HBA7
SlogP2.15
Fsp30.353
Rotatable Bonds4
Rings4 (3 aromatic)
QED0.716
SA Score2.51 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC17H19N5O2S
Exact Mass357.1259
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder 4-Aminoquinazoline Hinge
InChIKey-
Filter PassYes