EGF-00422 Yellow

O=C(CN1CCN(c2cc(-c3nn[nH]n3)c(F)cn2)CC1)Nc1cccnc1
0.534
Platform Score
2D Structure
EGF-00422
C17H18FN9O | Exact mass: 383.1618
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
1
Hinge Binder
116
TPSA
383
MW
2
HBD
0.6
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 Weight383.40 Da
TPSA115.8 A^2
HBD2
HBA8
SlogP0.56
Fsp30.294
Rotatable Bonds5
Rings4 (3 aromatic)
QED0.656
SA Score2.48 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC17H18FN9O
Exact Mass383.1618
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder 4-Aminoquinazoline Hinge
InChIKey-
Filter PassYes