EGF-02535 Yellow
CCOC(=O)c1c(NC(=O)CN(C)C(=O)c2ccccc2)sc(C)c1C
0.539
Platform Score
2D Structure
C19H22N2O4S | Exact mass: 374.13
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
76
TPSA
374
MW
1
HBD
3.2
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 | 374.50 Da |
| TPSA | 75.7 A^2 |
| HBD | 1 |
| HBA | 5 |
| SlogP | 3.25 |
| Fsp3 | 0.316 |
| Rotatable Bonds | 6 |
| Rings | 2 (2 aromatic) |
| QED | 0.788 |
| SA Score | 2.05 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C19H22N2O4S |
| Exact Mass | 374.13 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |