EGF-04260 Red
CC(C)(O)c1cc(C(=O)N=Nc2ccc([N+](=O)[O-])cc2)nc2c1cnn2CCC(F)(F)F
0.289
Platform Score
2D Structure
C19H17F3N6O4 | Exact mass: 450.1263
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
136
TPSA
450
MW
1
HBD
4.4
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 | 450.40 Da |
| TPSA | 135.9 A^2 |
| HBD | 1 |
| HBA | 8 |
| SlogP | 4.44 |
| Fsp3 | 0.316 |
| Rotatable Bonds | 6 |
| Rings | 3 (3 aromatic) |
| QED | 0.335 |
| SA Score | 3.21 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C19H17F3N6O4 |
| Exact Mass | 450.1263 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |