EGF-06081 Red
Cn1cc(-c2cc(NC(=O)NC3CCC(c4cc(F)ccc4F)CC3)c3cn[nH]c3c2F)cn1
0.260
Platform Score
2D Structure
C24H23F3N6O | Exact mass: 468.1885
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
88
TPSA
468
MW
3
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 | 468.50 Da |
| TPSA | 87.6 A^2 |
| HBD | 3 |
| HBA | 4 |
| SlogP | 5.23 |
| Fsp3 | 0.292 |
| Rotatable Bonds | 4 |
| Rings | 5 (4 aromatic) |
| QED | 0.383 |
| SA Score | 2.94 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C24H23F3N6O |
| Exact Mass | 468.1885 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |