EGF-06949 Red
CN(c1ccc2nc(SCC(=O)c3ccc(Br)cc3)sc2c1)S(C)(=O)=O
0.311
Platform Score
2D Structure
C17H15BrN2O3S3 | Exact mass: 469.9428
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
67
TPSA
471
MW
0
HBD
4.4
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 | 67.3 A^2 |
| HBD | 0 |
| HBA | 6 |
| SlogP | 4.43 |
| Fsp3 | 0.176 |
| Rotatable Bonds | 6 |
| Rings | 3 (3 aromatic) |
| QED | 0.393 |
| SA Score | 2.36 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C17H15BrN2O3S3 |
| Exact Mass | 469.9428 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |