EGF-07257 Red
Cn1ncc(S(=O)(=O)Nc2c(Cl)cc(Cl)cc2C(=O)Nc2ccc(CC(=O)O)cc2)c1Cl
0.278
Platform Score
2D Structure
C19H15Cl3N4O5S | Exact mass: 515.9829
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
130
TPSA
518
MW
3
HBD
4.1
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 | 517.80 Da |
| TPSA | 130.4 A^2 |
| HBD | 3 |
| HBA | 6 |
| SlogP | 4.06 |
| Fsp3 | 0.105 |
| Rotatable Bonds | 7 |
| Rings | 3 (3 aromatic) |
| QED | 0.433 |
| SA Score | 2.58 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C19H15Cl3N4O5S |
| Exact Mass | 515.9829 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |