EGF-05372 Red
CCOc1ccc(-c2nc3sc(C4CC4)nn3c2-c2ccc(C)c([N+](=O)[O-])c2)cc1
0.246
Platform Score
2D Structure
C22H20N4O3S | Exact mass: 420.1256
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
83
TPSA
420
MW
0
HBD
5.6
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 | 420.50 Da |
| TPSA | 82.6 A^2 |
| HBD | 0 |
| HBA | 7 |
| SlogP | 5.62 |
| Fsp3 | 0.273 |
| Rotatable Bonds | 6 |
| Rings | 5 (4 aromatic) |
| QED | 0.299 |
| SA Score | 2.57 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C22H20N4O3S |
| Exact Mass | 420.1256 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |