EGF-06122 Red
CCOC(=O)C(Cc1ccc(OCc2ccccc2)cc1)NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1
0.230
Platform Score
2D Structure
C31H30N2O6S | Exact mass: 558.1825
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
111
TPSA
559
MW
2
HBD
5.0
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 | 558.70 Da |
| TPSA | 110.8 A^2 |
| HBD | 2 |
| HBA | 6 |
| SlogP | 4.97 |
| Fsp3 | 0.161 |
| Rotatable Bonds | 12 |
| Rings | 4 (4 aromatic) |
| QED | 0.238 |
| SA Score | 2.56 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C31H30N2O6S |
| Exact Mass | 558.1825 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |