EGF-00314 Green

O=C(CN1CCN(c2ccccn2)CC1)Nc1cccc(Br)c1
0.713
Platform Score
2D Structure
EGF-00314
C17H19BrN4O | Exact mass: 374.0742
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
1
Hinge Binder
48
TPSA
375
MW
1
HBD
2.6
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 Weight375.30 Da
TPSA48.5 A^2
HBD1
HBA4
SlogP2.60
Fsp30.294
Rotatable Bonds4
Rings3 (2 aromatic)
QED0.893
SA Score1.84 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC17H19BrN4O
Exact Mass374.0742
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder 4-Aminoquinazoline Hinge
InChIKey-
Filter PassYes