EGF-04811 Red
CCc1ncc(-c2ccc(CN=c3[nH]cc(C)n(CC(=O)NCc4cccc5cccnc45)c3=O)cc2)o1
0.263
Platform Score
2D Structure
C29H28N6O3 | Exact mass: 508.2223
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
118
TPSA
509
MW
2
HBD
3.7
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 | 508.60 Da |
| TPSA | 118.2 A^2 |
| HBD | 2 |
| HBA | 7 |
| SlogP | 3.67 |
| Fsp3 | 0.207 |
| Rotatable Bonds | 8 |
| Rings | 5 (5 aromatic) |
| QED | 0.332 |
| SA Score | 3.11 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C29H28N6O3 |
| Exact Mass | 508.2223 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |