EGF-07336 Red

O=C(N1CCCC1)n1nnc2cc(OCc3ncn(C(CO)Cc4ccccc4)n3)ccc21
0.291
Platform Score
2D Structure
EGF-07336
C23H25N7O3 | Exact mass: 447.2019
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
111
TPSA
448
MW
1
HBD
2.4
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 Weight447.50 Da
TPSA111.2 A^2
HBD1
HBA9
SlogP2.44
Fsp30.348
Rotatable Bonds7
Rings5 (4 aromatic)
QED0.463
SA Score3.32 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC23H25N7O3
Exact Mass447.2019
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes