EGF-07313 Red
CC(CS(=O)(=O)CC(F)(F)F)N1C(=O)C(C)(CC(=O)O)CC(c2cnc(Cl)s2)C1c1ccc(Cl)cc1
0.219
Platform Score
2D Structure
C22H23Cl2F3N2O5S2 | Exact mass: 586.0378
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
105
TPSA
588
MW
1
HBD
5.3
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 | 587.50 Da |
| TPSA | 104.6 A^2 |
| HBD | 1 |
| HBA | 6 |
| SlogP | 5.35 |
| Fsp3 | 0.500 |
| Rotatable Bonds | 8 |
| Rings | 3 (2 aromatic) |
| QED | 0.447 |
| SA Score | 4.48 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C22H23Cl2F3N2O5S2 |
| Exact Mass | 586.0378 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |