EGF-05621 Red
CCn1ccc(N=c2nc3c(c[nH]2)CCc2nn(C)c(-c4ccc(-c5cc(OC)ccc5F)cc4)c2-3)n1
0.259
Platform Score
2D Structure
C28H26FN7O | Exact mass: 495.2183
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
86
TPSA
496
MW
1
HBD
4.8
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 | 495.60 Da |
| TPSA | 85.9 A^2 |
| HBD | 1 |
| HBA | 7 |
| SlogP | 4.84 |
| Fsp3 | 0.214 |
| Rotatable Bonds | 5 |
| Rings | 6 (5 aromatic) |
| QED | 0.378 |
| SA Score | 3.39 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C28H26FN7O |
| Exact Mass | 495.2183 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |