EGF-02007 Yellow

S=C(NN=Cc1ccc(Cl)cc1Cl)N1CCN(c2ccccn2)CC1
0.529
Platform Score
2D Structure
EGF-02007
C17H17Cl2N5S | Exact mass: 393.0582
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
1
Hinge Binder
44
TPSA
394
MW
1
HBD
3.4
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 Weight394.30 Da
TPSA43.8 A^2
HBD1
HBA4
SlogP3.42
Fsp30.235
Rotatable Bonds3
Rings3 (2 aromatic)
QED0.491
SA Score2.33 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC17H17Cl2N5S
Exact Mass393.0582
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder 4-Aminoquinazoline Hinge
InChIKey-
Filter PassYes