EGF-02199 Green

O=C(Nc1cnn(CC2CCCO2)c1)N1CCC(N2CCCCC2)CC1
0.553
Platform Score
2D Structure
EGF-02199
C19H31N5O2 | Exact mass: 361.2478
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
63
TPSA
362
MW
1
HBD
2.5
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 Weight361.50 Da
TPSA62.6 A^2
HBD1
HBA5
SlogP2.54
Fsp30.789
Rotatable Bonds4
Rings4 (1 aromatic)
QED0.895
SA Score2.87 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC19H31N5O2
Exact Mass361.2478
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes