EGF-07172 Red
O=C(c1ccccc1)N1CCCN(C(=O)C(Cc2ccc(F)cc2)NS(=O)(=O)c2ccc3ccccc3c2)CC1
0.288
Platform Score
2D Structure
C31H30FN3O4S | Exact mass: 559.1941
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
87
TPSA
560
MW
1
HBD
4.2
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 | 559.70 Da |
| TPSA | 86.8 A^2 |
| HBD | 1 |
| HBA | 4 |
| SlogP | 4.24 |
| Fsp3 | 0.226 |
| Rotatable Bonds | 7 |
| Rings | 5 (4 aromatic) |
| QED | 0.367 |
| SA Score | 2.70 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C31H30FN3O4S |
| Exact Mass | 559.1941 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |