EGF-01693 Green

Cc1occc1-c1noc(CN2CCN(c3ccccn3)CC2)n1
0.559
Platform Score
2D Structure
EGF-01693
C17H19N5O2 | Exact mass: 325.1539
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
1
Hinge Binder
71
TPSA
325
MW
0
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 Weight325.40 Da
TPSA71.4 A^2
HBD0
HBA7
SlogP2.36
Fsp30.353
Rotatable Bonds4
Rings4 (3 aromatic)
QED0.729
SA Score2.36 (1=easy, 10=hard)
CNS MPO- / 4.0
FormulaC17H19N5O2
Exact Mass325.1539
Classification
Scaffold (Murcko)-
Source Versions-
Best Source Score-
Best Source Rank#-
Hinge Binder 4-Aminoquinazoline Hinge
InChIKey-
Filter PassYes