EGF-05256 Red
COC(=O)C(NC(=O)c1nccc2ccccc12)C1CC(O)CN1
0.284
Platform Score
2D Structure
C17H19N3O4 | Exact mass: 329.1376
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
100
TPSA
329
MW
3
HBD
0.2
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 | 329.40 Da |
| TPSA | 100.5 A^2 |
| HBD | 3 |
| HBA | 6 |
| SlogP | 0.23 |
| Fsp3 | 0.353 |
| Rotatable Bonds | 4 |
| Rings | 3 (2 aromatic) |
| QED | 0.694 |
| SA Score | 3.54 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C17H19N3O4 |
| Exact Mass | 329.1376 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |