EGF-04911 Red
Cc1c(-c2cc(-c3cccc(F)c3)n(C)n2)c(=O)n(CC(F)c2ccccc2)c(=O)n1Cc1c(F)cccc1F
0.233
Platform Score
2D Structure
C30H24F4N4O2 | Exact mass: 548.1835
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
62
TPSA
548
MW
0
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 | 548.50 Da |
| TPSA | 61.8 A^2 |
| HBD | 0 |
| HBA | 6 |
| SlogP | 5.56 |
| Fsp3 | 0.167 |
| Rotatable Bonds | 7 |
| Rings | 5 (5 aromatic) |
| QED | 0.250 |
| SA Score | 3.35 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C30H24F4N4O2 |
| Exact Mass | 548.1835 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |