EGF-01294 Green
O=C(Nc1cnc(N2CCOCC2)c(Cl)c1)N1CCOCC1
0.589
Platform Score
2D Structure
C14H19ClN4O3 | Exact mass: 326.1146
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
1
Hinge Binder
67
TPSA
327
MW
1
HBD
1.4
SlogP
Display Controls
EGFR Docking Result
N/A
kcal/mol (molecular docking)
| Docking Rank | #- of 1,249 |
| Consensus Score | - |
| Receptor | EGFR (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 Weight | 326.80 Da |
| TPSA | 66.9 A^2 |
| HBD | 1 |
| HBA | 5 |
| SlogP | 1.44 |
| Fsp3 | 0.571 |
| Rotatable Bonds | 2 |
| Rings | 3 (1 aromatic) |
| QED | 0.890 |
| SA Score | 2.23 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C14H19ClN4O3 |
| Exact Mass | 326.1146 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | 4-Aminoquinazoline Hinge |
| InChIKey | - |
| Filter Pass | Yes |