EGF-05904 Red
COC1=CC=c2c(cc(O)c(O)c2=C(c2ccc(O)c(Br)c2)c2c(O)[nH]c3ccccc23)C1=O
0.242
Platform Score
2D Structure
C26H18BrNO6 | Exact mass: 519.0317
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
123
TPSA
520
MW
5
HBD
3.5
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 | 520.30 Da |
| TPSA | 123.0 A^2 |
| HBD | 5 |
| HBA | 6 |
| SlogP | 3.51 |
| Fsp3 | 0.038 |
| Rotatable Bonds | 3 |
| Rings | 5 (4 aromatic) |
| QED | 0.264 |
| SA Score | 3.39 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C26H18BrNO6 |
| Exact Mass | 519.0317 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |