EGF-05079 Red
Cn1ccc(=NC2CC3CCC(C2)N3CCc2ccccc2)c2[nH]c(=N)[nH]c21
0.317
Platform Score
2D Structure
C22H28N6 | Exact mass: 376.2375
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
76
TPSA
376
MW
3
HBD
2.5
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 | 376.50 Da |
| TPSA | 76.0 A^2 |
| HBD | 3 |
| HBA | 4 |
| SlogP | 2.45 |
| Fsp3 | 0.455 |
| Rotatable Bonds | 4 |
| Rings | 5 (3 aromatic) |
| QED | 0.643 |
| SA Score | 4.76 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C22H28N6 |
| Exact Mass | 376.2375 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |