EGF-06611 Red
CCN(Cc1ccc(Br)cc1)CC(O)(Cn1cncn1)c1c(F)c(F)cc(F)c1F
0.303
Platform Score
2D Structure
C20H19BrF4N4O | Exact mass: 486.0678
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
54
TPSA
487
MW
1
HBD
4.0
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 | 487.30 Da |
| TPSA | 54.2 A^2 |
| HBD | 1 |
| HBA | 5 |
| SlogP | 4.01 |
| Fsp3 | 0.300 |
| Rotatable Bonds | 8 |
| Rings | 3 (3 aromatic) |
| QED | 0.386 |
| SA Score | 3.40 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C20H19BrF4N4O |
| Exact Mass | 486.0678 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |