EGF-05486 Red
Cn1cc(-c2ncc3nc(-c4ccc(F)c(O)c4)c(=O)n(CCO)c3n2)cn1
0.280
Platform Score
2D Structure
C18H15FN6O3 | Exact mass: 382.119
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
119
TPSA
382
MW
2
HBD
1.1
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 | 382.40 Da |
| TPSA | 119.0 A^2 |
| HBD | 2 |
| HBA | 9 |
| SlogP | 1.09 |
| Fsp3 | 0.167 |
| Rotatable Bonds | 4 |
| Rings | 4 (4 aromatic) |
| QED | 0.542 |
| SA Score | 2.81 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C18H15FN6O3 |
| Exact Mass | 382.119 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |