EGF-04948 Red
NC1CC(n2cc(-c3ccc4oc(=O)[nH]c4c3)cc2C(=O)Nc2ccc(C(=O)N3CCc4ccccc43)cc2F)C1
0.222
Platform Score
2D Structure
C31H26FN5O4 | Exact mass: 551.1969
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
126
TPSA
552
MW
3
HBD
4.8
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 | 551.60 Da |
| TPSA | 126.4 A^2 |
| HBD | 3 |
| HBA | 6 |
| SlogP | 4.85 |
| Fsp3 | 0.194 |
| Rotatable Bonds | 5 |
| Rings | 7 (5 aromatic) |
| QED | 0.288 |
| SA Score | 2.96 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C31H26FN5O4 |
| Exact Mass | 551.1969 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |