EGF-07075 Red
O=C(NC(CO)Cc1ccc(O)cc1)c1cc(N(O)Sc2c(F)c(F)cc(F)c2F)c[nH]1
0.222
Platform Score
2D Structure
C20H17F4N3O4S | Exact mass: 471.0876
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
109
TPSA
471
MW
5
HBD
3.5
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 | 471.40 Da |
| TPSA | 108.8 A^2 |
| HBD | 5 |
| HBA | 6 |
| SlogP | 3.51 |
| Fsp3 | 0.150 |
| Rotatable Bonds | 8 |
| Rings | 3 (3 aromatic) |
| QED | 0.149 |
| SA Score | 3.69 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C20H17F4N3O4S |
| Exact Mass | 471.0876 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |