EGF-01111 Green

CN(Cc1nc2ccccc2n1C)C1CCN(Cc2ccccc2Cl)C1=O
0.562
Platform Score
2D Structure
EGF-01111
C21H23ClN4O | Exact mass: 382.156
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
41
TPSA
383
MW
0
HBD
3.5
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 Weight382.90 Da
TPSA41.4 A^2
HBD0
HBA4
SlogP3.46
Fsp30.333
Rotatable Bonds5
Rings4 (3 aromatic)
QED0.678
SA Score2.85 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC21H23ClN4O
Exact Mass382.156
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder Not present
InChIKey-
Filter PassYes