EGF-05311 Red
COc1cccc(SN2C(=O)C3COC(c4ccccc4)C3(C)C2=O)c1
0.349
Platform Score
2D Structure
C20H19NO4S | Exact mass: 369.1035
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
56
TPSA
369
MW
0
HBD
3.5
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 | 369.40 Da |
| TPSA | 55.8 A^2 |
| HBD | 0 |
| HBA | 5 |
| SlogP | 3.47 |
| Fsp3 | 0.300 |
| Rotatable Bonds | 4 |
| Rings | 4 (2 aromatic) |
| QED | 0.610 |
| SA Score | 3.87 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C20H19NO4S |
| Exact Mass | 369.1035 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |