EGF-06080 Red
C[N+](C)(C)c1ccc(Cc2cc(N)cc(C=C3C(=O)Nc4ccc(Cl)cc43)c2)cc1
0.280
Platform Score
2D Structure
C25H25ClN3O+ | Exact mass: 418.1681
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
55
TPSA
419
MW
2
HBD
5.2
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 | 418.90 Da |
| TPSA | 55.1 A^2 |
| HBD | 2 |
| HBA | 2 |
| SlogP | 5.20 |
| Fsp3 | 0.160 |
| Rotatable Bonds | 4 |
| Rings | 4 (3 aromatic) |
| QED | 0.347 |
| SA Score | 2.80 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C25H25ClN3O+ |
| Exact Mass | 418.1681 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |