EGF-06192 Red
CCOC(=O)C1C(C)N=CN(NC(=O)c2ccc(Br)cc2)C1c1ccc(SC)cc1
0.288
Platform Score
2D Structure
C22H24BrN3O3S | Exact mass: 489.0722
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
71
TPSA
490
MW
1
HBD
4.5
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 | 490.40 Da |
| TPSA | 71.0 A^2 |
| HBD | 1 |
| HBA | 6 |
| SlogP | 4.47 |
| Fsp3 | 0.318 |
| Rotatable Bonds | 6 |
| Rings | 3 (2 aromatic) |
| QED | 0.478 |
| SA Score | 3.82 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C22H24BrN3O3S |
| Exact Mass | 489.0722 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |