EGF-01972 Yellow

CN1CCN(C(=O)c2ccc(N3CCC(N(C)c4ccccn4)CC3)nn2)CC1
0.533
Platform Score
2D Structure
EGF-01972
C21H29N7O | Exact mass: 395.2434
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
1
Hinge Binder
69
TPSA
396
MW
0
HBD
1.4
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 Weight395.50 Da
TPSA68.7 A^2
HBD0
HBA7
SlogP1.36
Fsp30.524
Rotatable Bonds4
Rings4 (2 aromatic)
QED0.774
SA Score2.52 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC21H29N7O
Exact Mass395.2434
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder 4-Aminoquinazoline Hinge
InChIKey-
Filter PassYes