EGF-02016 Red
Cn1c(=O)c2c([nH]c(=NCC3CCC(C(=O)NCCO)CC3)n2Cc2ccc(F)cc2)n(C)c1=O
0.364
Platform Score
2D Structure
C24H31FN6O4 | Exact mass: 486.2391
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
126
TPSA
486
MW
3
HBD
0.4
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 | 486.50 Da |
| TPSA | 126.4 A^2 |
| HBD | 3 |
| HBA | 8 |
| SlogP | 0.37 |
| Fsp3 | 0.500 |
| Rotatable Bonds | 7 |
| Rings | 4 (3 aromatic) |
| QED | 0.446 |
| SA Score | 3.08 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C24H31FN6O4 |
| Exact Mass | 486.2391 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |