EGF-06797 Red
COc1ccc2c(c1)C(c1nc(-c3cccc(F)c3)c[nH]1)C(NS(C)(=O)=O)C2
0.359
Platform Score
2D Structure
C20H20FN3O3S | Exact mass: 401.1209
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
84
TPSA
402
MW
2
HBD
2.8
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 | 401.50 Da |
| TPSA | 84.1 A^2 |
| HBD | 2 |
| HBA | 4 |
| SlogP | 2.83 |
| Fsp3 | 0.250 |
| Rotatable Bonds | 5 |
| Rings | 4 (3 aromatic) |
| QED | 0.689 |
| SA Score | 3.57 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C20H20FN3O3S |
| Exact Mass | 401.1209 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |