EGF-06092 Red
Cc1onc2c(=O)n(Cc3ccc(S(C)(=O)=O)cc3)nc(-c3ccccc3)c12
0.350
Platform Score
2D Structure
C20H17N3O4S | Exact mass: 395.094
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
95
TPSA
395
MW
0
HBD
2.8
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 | 395.40 Da |
| TPSA | 95.1 A^2 |
| HBD | 0 |
| HBA | 7 |
| SlogP | 2.81 |
| Fsp3 | 0.150 |
| Rotatable Bonds | 4 |
| Rings | 4 (4 aromatic) |
| QED | 0.527 |
| SA Score | 2.30 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C20H17N3O4S |
| Exact Mass | 395.094 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |