EGF-03433 Red
O=C(NN=Cc1cccc([N+](=O)[O-])c1)Nc1ccc2[nH]cnc(=Nc3ccc(F)c(Cl)c3)c2c1
0.301
Platform Score
2D Structure
C22H15ClFN7O3 | Exact mass: 479.0909
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
138
TPSA
480
MW
3
HBD
4.7
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 | 479.90 Da |
| TPSA | 137.7 A^2 |
| HBD | 3 |
| HBA | 6 |
| SlogP | 4.65 |
| Fsp3 | - |
| Rotatable Bonds | 5 |
| Rings | 4 (4 aromatic) |
| QED | 0.218 |
| SA Score | 2.92 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C22H15ClFN7O3 |
| Exact Mass | 479.0909 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |