EGF-05877 Red
N=C1N(Cc2ccc(Cl)nc2)C(=Nc2ccccc2)C(=N[N+](=O)[O-])N1Cc1cc(-c2ccc(Cl)cc2)no1
0.165
Platform Score
2D Structure
C25H18Cl2N8O3 | Exact mass: 548.0879
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
137
TPSA
549
MW
1
HBD
5.6
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 | 549.40 Da |
| TPSA | 137.1 A^2 |
| HBD | 1 |
| HBA | 7 |
| SlogP | 5.62 |
| Fsp3 | 0.080 |
| Rotatable Bonds | 7 |
| Rings | 5 (4 aromatic) |
| QED | 0.180 |
| SA Score | 3.32 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C25H18Cl2N8O3 |
| Exact Mass | 548.0879 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |