EGF-00762 Yellow

N=c1[nH]c(OCCC(=O)O)nc(N2CCCCCC2)c1Cl
0.534
Platform Score
2D Structure
EGF-00762
C13H19ClN4O3 | Exact mass: 314.1146
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
102
TPSA
315
MW
3
HBD
1.8
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 Weight314.80 Da
TPSA102.3 A^2
HBD3
HBA5
SlogP1.78
Fsp30.615
Rotatable Bonds5
Rings2 (1 aromatic)
QED0.768
SA Score2.98 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC13H19ClN4O3
Exact Mass314.1146
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes