EGF-06425 Red
O=C(CSc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccc(F)cc1)Nc1ccc(Br)cc1
0.246
Platform Score
2D Structure
C24H16BrFN4O2S | Exact mass: 522.0161
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
80
TPSA
523
MW
2
HBD
5.5
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 | 523.40 Da |
| TPSA | 79.8 A^2 |
| HBD | 2 |
| HBA | 5 |
| SlogP | 5.50 |
| Fsp3 | 0.042 |
| Rotatable Bonds | 5 |
| Rings | 5 (5 aromatic) |
| QED | 0.236 |
| SA Score | 2.26 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C24H16BrFN4O2S |
| Exact Mass | 522.0161 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |