EGF-05042 Red
Cc1nc(-c2ccc3c(c2)C(C)(C)O3)cc(=NC(C)c2cccc(OCC(F)(F)F)c2)[nH]1
0.286
Platform Score
2D Structure
C24H24F3N3O2 | Exact mass: 443.1821
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
60
TPSA
444
MW
1
HBD
5.6
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 | 443.50 Da |
| TPSA | 59.5 A^2 |
| HBD | 1 |
| HBA | 4 |
| SlogP | 5.62 |
| Fsp3 | 0.333 |
| Rotatable Bonds | 5 |
| Rings | 4 (3 aromatic) |
| QED | 0.557 |
| SA Score | 3.69 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C24H24F3N3O2 |
| Exact Mass | 443.1821 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |