EGF-04873 Red
CN(C)CC1CC2c3cc(N4CCCS4(=O)=O)ccc3N(c3cccc(F)c3)C(=O)N2C1
0.363
Platform Score
2D Structure
C23H27FN4O3S | Exact mass: 458.1788
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
64
TPSA
459
MW
0
HBD
3.6
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 | 458.60 Da |
| TPSA | 64.2 A^2 |
| HBD | 0 |
| HBA | 4 |
| SlogP | 3.56 |
| Fsp3 | 0.435 |
| Rotatable Bonds | 4 |
| Rings | 5 (2 aromatic) |
| QED | 0.703 |
| SA Score | 3.72 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C23H27FN4O3S |
| Exact Mass | 458.1788 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |