EGF-05529 Red
O=C(c1ccccc1)c1c(O)c(O)n(Cc2ccc(Cl)cc2)c1-c1cn(-c2cccc([N+](=O)[O-])c2)nn1
0.193
Platform Score
2D Structure
C26H18ClN5O5 | Exact mass: 515.0996
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
136
TPSA
516
MW
2
HBD
5.0
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 | 515.90 Da |
| TPSA | 136.3 A^2 |
| HBD | 2 |
| HBA | 9 |
| SlogP | 4.99 |
| Fsp3 | 0.038 |
| Rotatable Bonds | 7 |
| Rings | 5 (5 aromatic) |
| QED | 0.177 |
| SA Score | 2.83 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C26H18ClN5O5 |
| Exact Mass | 515.0996 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |