EGF-06154 Red
CC(=O)NCC1CN(c2ccc(C3=CCN(S(C)(=O)=O)CC3)c(F)c2)C(=O)O1
0.344
Platform Score
2D Structure
C18H22FN3O5S | Exact mass: 411.1264
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
96
TPSA
412
MW
1
HBD
1.3
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 | 411.50 Da |
| TPSA | 96.0 A^2 |
| HBD | 1 |
| HBA | 5 |
| SlogP | 1.34 |
| Fsp3 | 0.444 |
| Rotatable Bonds | 5 |
| Rings | 3 (1 aromatic) |
| QED | 0.789 |
| SA Score | 3.16 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C18H22FN3O5S |
| Exact Mass | 411.1264 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |