EGF-05857 Red
O=[N+]([O-])c1cccc(S(=O)(=O)n2c3c(c4ccc(Cl)cc42)CCNC3)c1
0.349
Platform Score
2D Structure
C17H14ClN3O4S | Exact mass: 391.0394
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
94
TPSA
392
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 | 391.80 Da |
| TPSA | 94.2 A^2 |
| HBD | 1 |
| HBA | 6 |
| SlogP | 3.09 |
| Fsp3 | 0.176 |
| Rotatable Bonds | 3 |
| Rings | 4 (3 aromatic) |
| QED | 0.547 |
| SA Score | 2.65 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C17H14ClN3O4S |
| Exact Mass | 391.0394 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |