EGF-06034 Red
C=CC(=O)OC1(C)C(=O)OC2=CC(c3ccc(Cl)cc3Cl)N(C(=O)c3ccc([N+](=O)[O-])cc3)C=C2C1=O
0.174
Platform Score
2D Structure
C25H16Cl2N2O8 | Exact mass: 542.0284
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
133
TPSA
543
MW
0
HBD
4.5
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 | 543.30 Da |
| TPSA | 133.1 A^2 |
| HBD | 0 |
| HBA | 8 |
| SlogP | 4.48 |
| Fsp3 | 0.120 |
| Rotatable Bonds | 5 |
| Rings | 4 (2 aromatic) |
| QED | 0.177 |
| SA Score | 4.18 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C25H16Cl2N2O8 |
| Exact Mass | 542.0284 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |