EGF-07340 Red
OC(c1nc(-c2ccc(F)cc2)c[nH]1)(c1c(F)cccc1F)C(F)(F)F
0.359
Platform Score
2D Structure
C17H10F6N2O | Exact mass: 372.0697
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
49
TPSA
372
MW
2
HBD
4.3
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 | 372.30 Da |
| TPSA | 48.9 A^2 |
| HBD | 2 |
| HBA | 2 |
| SlogP | 4.29 |
| Fsp3 | 0.118 |
| Rotatable Bonds | 3 |
| Rings | 3 (3 aromatic) |
| QED | 0.674 |
| SA Score | 3.33 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C17H10F6N2O |
| Exact Mass | 372.0697 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |