EGF-05956 Red
Cc1cccc(CCCOC(=O)C2CCCN2C(=O)C(N)Cc2c(C)cc(O)cc2C)c1
0.318
Platform Score
2D Structure
C26H34N2O4 | Exact mass: 438.2519
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
93
TPSA
439
MW
2
HBD
3.4
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 | 438.60 Da |
| TPSA | 92.9 A^2 |
| HBD | 2 |
| HBA | 5 |
| SlogP | 3.35 |
| Fsp3 | 0.462 |
| Rotatable Bonds | 8 |
| Rings | 3 (2 aromatic) |
| QED | 0.487 |
| SA Score | 3.17 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C26H34N2O4 |
| Exact Mass | 438.2519 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |