EGF-05147 Red
C=CCOc1ccc(C=C2C=C(Cc3cc(OC)c(OC)c(OC)c3)C(=O)O2)cc1OCC
0.280
Platform Score
2D Structure
C26H28O7 | Exact mass: 452.1835
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
72
TPSA
452
MW
0
HBD
4.7
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 | 452.50 Da |
| TPSA | 72.5 A^2 |
| HBD | 0 |
| HBA | 7 |
| SlogP | 4.74 |
| Fsp3 | 0.269 |
| Rotatable Bonds | 11 |
| Rings | 3 (2 aromatic) |
| QED | 0.360 |
| SA Score | 2.86 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C26H28O7 |
| Exact Mass | 452.1835 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |