EGF-06524 Red
CCN=c1[nH]c(Cl)c(Cc2cccc(F)c2F)n(CC(=O)Nc2ccccc2Cl)c1=O
0.336
Platform Score
2D Structure
C21H18Cl2F2N4O2 | Exact mass: 466.0775
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
79
TPSA
467
MW
2
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 | 467.30 Da |
| TPSA | 79.2 A^2 |
| HBD | 2 |
| HBA | 4 |
| SlogP | 3.91 |
| Fsp3 | 0.190 |
| Rotatable Bonds | 6 |
| Rings | 3 (3 aromatic) |
| QED | 0.577 |
| SA Score | 2.99 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C21H18Cl2F2N4O2 |
| Exact Mass | 466.0775 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |