EGF-05533 Red
Cc1ccc2c(c1)c(O)c(C(=O)NC1CCCC1)n2-c1cccc([N+](=O)[O-])c1
0.319
Platform Score
2D Structure
C21H21N3O4 | Exact mass: 379.1532
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
97
TPSA
379
MW
2
HBD
4.2
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 | 379.40 Da |
| TPSA | 97.4 A^2 |
| HBD | 2 |
| HBA | 5 |
| SlogP | 4.23 |
| Fsp3 | 0.286 |
| Rotatable Bonds | 4 |
| Rings | 4 (3 aromatic) |
| QED | 0.524 |
| SA Score | 2.42 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C21H21N3O4 |
| Exact Mass | 379.1532 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |