EGF-05970 Red
CC(C)CCc1cc(=NCc2ccc(Cl)cc2)[nH]c(=NCc2cc(-c3ccccc3)no2)[nH]1
0.247
Platform Score
2D Structure
C26H28ClN5O | Exact mass: 461.1982
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
82
TPSA
462
MW
2
HBD
5.4
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 | 462.00 Da |
| TPSA | 82.3 A^2 |
| HBD | 2 |
| HBA | 4 |
| SlogP | 5.44 |
| Fsp3 | 0.269 |
| Rotatable Bonds | 8 |
| Rings | 4 (4 aromatic) |
| QED | 0.366 |
| SA Score | 3.26 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C26H28ClN5O |
| Exact Mass | 461.1982 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |