EGF-02101 Green

O=C(N1C=CCC1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
0.551
Platform Score
2D Structure
EGF-02101
C17H20N4O2 | Exact mass: 312.1586
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
61
TPSA
312
MW
1
HBD
2.3
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 Weight312.40 Da
TPSA61.3 A^2
HBD1
HBA3
SlogP2.31
Fsp30.412
Rotatable Bonds1
Rings4 (2 aromatic)
QED0.878
SA Score2.73 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC17H20N4O2
Exact Mass312.1586
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes