EGF-02972 Green

COc1ccc(NC(=O)c2ccc(N3CCCC(F)C3)nc2)cc1F
0.575
Platform Score
2D Structure
EGF-02972
C18H19F2N3O2 | Exact mass: 347.1445
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
1
Hinge Binder
54
TPSA
347
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 Weight347.40 Da
TPSA54.5 A^2
HBD1
HBA4
SlogP3.42
Fsp30.333
Rotatable Bonds4
Rings3 (2 aromatic)
QED0.921
SA Score2.60 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC18H19F2N3O2
Exact Mass347.1445
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder 4-Aminoquinazoline Hinge
InChIKey-
Filter PassYes