EGF-04959 Red
CCOC(=O)C1=C(c2ccc(Cl)cc2)OC(=N)C(C#N)C1c1ccccc1Cl
0.314
Platform Score
2D Structure
C21H16Cl2N2O3 | Exact mass: 414.0538
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
83
TPSA
415
MW
1
HBD
5.2
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 | 415.30 Da |
| TPSA | 83.2 A^2 |
| HBD | 1 |
| HBA | 5 |
| SlogP | 5.20 |
| Fsp3 | 0.190 |
| Rotatable Bonds | 4 |
| Rings | 3 (2 aromatic) |
| QED | 0.696 |
| SA Score | 3.44 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C21H16Cl2N2O3 |
| Exact Mass | 414.0538 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |