EGF-05524 Red
COc1ccc(C2NC(c3ccc(OC)cc3)C3C(=O)CC2CC3c2cccc([N+](=O)[O-])c2)cc1
0.216
Platform Score
2D Structure
C28H28N2O5 | Exact mass: 472.1998
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
91
TPSA
472
MW
1
HBD
5.4
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 | 472.50 Da |
| TPSA | 90.7 A^2 |
| HBD | 1 |
| HBA | 6 |
| SlogP | 5.38 |
| Fsp3 | 0.321 |
| Rotatable Bonds | 6 |
| Rings | 6 (3 aromatic) |
| QED | 0.383 |
| SA Score | 4.47 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C28H28N2O5 |
| Exact Mass | 472.1998 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |