EGF-03662 Red
Cc1cc(C(=O)N(C)C(C(O)=NO)C(C)C)ccc1NS(=O)(=O)c1ccc(Cl)cc1
0.332
Platform Score
2D Structure
C20H24ClN3O5S | Exact mass: 453.1125
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
119
TPSA
454
MW
3
HBD
3.9
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 | 453.90 Da |
| TPSA | 119.3 A^2 |
| HBD | 3 |
| HBA | 5 |
| SlogP | 3.89 |
| Fsp3 | 0.300 |
| Rotatable Bonds | 7 |
| Rings | 2 (2 aromatic) |
| QED | 0.254 |
| SA Score | 2.99 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C20H24ClN3O5S |
| Exact Mass | 453.1125 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |