EGF-00903 Yellow
CCC(=O)Nc1cccc(NC(=O)C2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)c1
0.526
Platform Score
2D Structure
C21H24BrN3O4S | Exact mass: 493.0671
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
96
TPSA
494
MW
2
HBD
3.8
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 | 494.40 Da |
| TPSA | 95.6 A^2 |
| HBD | 2 |
| HBA | 4 |
| SlogP | 3.84 |
| Fsp3 | 0.333 |
| Rotatable Bonds | 6 |
| Rings | 3 (2 aromatic) |
| QED | 0.638 |
| SA Score | 2.49 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C21H24BrN3O4S |
| Exact Mass | 493.0671 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |