EGF-06778 Red
N#CC(O)(c1ccc(C(=O)N(c2ccccc2)C2CCC(C(F)(F)F)CC2)cn1)C1CCCC1
0.278
Platform Score
2D Structure
C26H28F3N3O2 | Exact mass: 471.2134
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
77
TPSA
472
MW
1
HBD
5.8
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 | 471.50 Da |
| TPSA | 77.2 A^2 |
| HBD | 1 |
| HBA | 4 |
| SlogP | 5.75 |
| Fsp3 | 0.500 |
| Rotatable Bonds | 5 |
| Rings | 4 (2 aromatic) |
| QED | 0.563 |
| SA Score | 3.42 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C26H28F3N3O2 |
| Exact Mass | 471.2134 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |