EGF-06869 Red
N#Cc1ccc(N2C(=O)c3c(Cl)ccc(NS(=O)(=O)c4ccc(F)cc4F)c3C2=O)cc1C(F)(F)F
0.249
Platform Score
2D Structure
C22H9ClF5N3O4S | Exact mass: 540.9922
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
107
TPSA
542
MW
1
HBD
5.1
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 | 541.80 Da |
| TPSA | 107.3 A^2 |
| HBD | 1 |
| HBA | 5 |
| SlogP | 5.11 |
| Fsp3 | 0.045 |
| Rotatable Bonds | 4 |
| Rings | 4 (3 aromatic) |
| QED | 0.365 |
| SA Score | 2.78 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C22H9ClF5N3O4S |
| Exact Mass | 540.9922 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |