EGF-05756 Red
CN(Cc1ccccc1)C(=O)C1CCN(c2nccc(-c3cccc4[nH]ncc34)n2)CC1
0.341
Platform Score
2D Structure
C25H26N6O | Exact mass: 426.2168
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
78
TPSA
426
MW
1
HBD
3.9
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 | 426.50 Da |
| TPSA | 78.0 A^2 |
| HBD | 1 |
| HBA | 5 |
| SlogP | 3.89 |
| Fsp3 | 0.280 |
| Rotatable Bonds | 5 |
| Rings | 5 (4 aromatic) |
| QED | 0.524 |
| SA Score | 2.44 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C25H26N6O |
| Exact Mass | 426.2168 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |