EGF-03455 Red
COCCOCC(O)C(=O)Nc1cc(CN2CCN(S(C)(=O)=O)CC2)c[nH]c1=Nc1ccc(F)c(Cl)c1
0.303
Platform Score
2D Structure
C23H31ClFN5O6S | Exact mass: 559.1668
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
137
TPSA
560
MW
3
HBD
1.1
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 | 560.00 Da |
| TPSA | 136.6 A^2 |
| HBD | 3 |
| HBA | 8 |
| SlogP | 1.08 |
| Fsp3 | 0.478 |
| Rotatable Bonds | 11 |
| Rings | 3 (2 aromatic) |
| QED | 0.350 |
| SA Score | 3.65 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C23H31ClFN5O6S |
| Exact Mass | 559.1668 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |