EGF-00057 LEAD Green

Brc1cnc(N=c2cc(C3CC3)[nH][nH]2)c(Br)c1
0.724
Platform Score
2D Structure
EGF-00057
C11H10Br2N4 | Exact mass: 355.9272
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
1
Hinge Binder
57
TPSA
358
MW
2
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 Weight358.00 Da
TPSA56.8 A^2
HBD2
HBA2
SlogP3.37
Fsp30.273
Rotatable Bonds2
Rings3 (2 aromatic)
QED0.850
SA Score3.76 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC11H10Br2N4
Exact Mass355.9272
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder 4-Aminoquinazoline Hinge
InChIKey-
Filter PassYes