EGF-03564 Red
COc1ccc(S(=O)(=O)N(Cc2cn(CCF)nn2)C(COc2ccccc2)C(O)=NO)cc1
0.298
Platform Score
2D Structure
C21H24FN5O6S | Exact mass: 493.1431
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
139
TPSA
494
MW
2
HBD
2.2
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 | 493.50 Da |
| TPSA | 139.4 A^2 |
| HBD | 2 |
| HBA | 9 |
| SlogP | 2.24 |
| Fsp3 | 0.286 |
| Rotatable Bonds | 12 |
| Rings | 3 (3 aromatic) |
| QED | 0.169 |
| SA Score | 3.37 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C21H24FN5O6S |
| Exact Mass | 493.1431 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |