EGF-04931 Red
COc1c(N2CCN(CCO[N+](=O)[O-])CC2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12
0.271
Platform Score
2D Structure
C20H23FN4O7 | Exact mass: 450.1551
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
127
TPSA
450
MW
1
HBD
1.5
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 | 450.40 Da |
| TPSA | 127.4 A^2 |
| HBD | 1 |
| HBA | 9 |
| SlogP | 1.51 |
| Fsp3 | 0.500 |
| Rotatable Bonds | 8 |
| Rings | 4 (2 aromatic) |
| QED | 0.470 |
| SA Score | 2.78 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C20H23FN4O7 |
| Exact Mass | 450.1551 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |