EGF-07249 Red
OC(Cn1cncn1)(c1ccc(F)cc1F)C(COc1ccc(Br)cc1)n1cncn1
0.298
Platform Score
2D Structure
C20H17BrF2N6O2 | Exact mass: 490.0564
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
91
TPSA
491
MW
1
HBD
3.1
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 | 491.30 Da |
| TPSA | 90.9 A^2 |
| HBD | 1 |
| HBA | 8 |
| SlogP | 3.12 |
| Fsp3 | 0.200 |
| Rotatable Bonds | 8 |
| Rings | 4 (4 aromatic) |
| QED | 0.408 |
| SA Score | 3.63 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C20H17BrF2N6O2 |
| Exact Mass | 490.0564 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |