EGF-05348 Red
NC(=NO)c1ccc(-c2ccc3cc(O)n(O)c(=O)c3c2)cc1
0.231
Platform Score
2D Structure
C16H13N3O4 | Exact mass: 311.0906
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
121
TPSA
311
MW
4
HBD
1.7
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 | 311.30 Da |
| TPSA | 121.1 A^2 |
| HBD | 4 |
| HBA | 6 |
| SlogP | 1.71 |
| Fsp3 | - |
| Rotatable Bonds | 2 |
| Rings | 3 (3 aromatic) |
| QED | 0.189 |
| SA Score | 2.54 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C16H13N3O4 |
| Exact Mass | 311.0906 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |