EGF-05848 Red
CN1CCc2c(cc(-c3cc(=NC(=O)NS(=O)(=O)N(C)C)n(-c4ccc(Cl)c(Cl)c4)[nH]3)n2CCN)C1
0.248
Platform Score
2D Structure
C22H28Cl2N8O3S | Exact mass: 554.1382
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
134
TPSA
556
MW
3
HBD
1.9
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 | 555.50 Da |
| TPSA | 133.8 A^2 |
| HBD | 3 |
| HBA | 7 |
| SlogP | 1.94 |
| Fsp3 | 0.364 |
| Rotatable Bonds | 6 |
| Rings | 4 (3 aromatic) |
| QED | 0.428 |
| SA Score | 3.60 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C22H28Cl2N8O3S |
| Exact Mass | 554.1382 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |