EGF-00449 Green
Cc1cc(C)cc(NC(=S)NC(=O)COC(=O)c2ccc(C)o2)c1
0.598
Platform Score
2D Structure
C17H18N2O4S | Exact mass: 346.0987
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
81
TPSA
346
MW
2
HBD
2.9
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 | 346.40 Da |
| TPSA | 80.6 A^2 |
| HBD | 2 |
| HBA | 5 |
| SlogP | 2.87 |
| Fsp3 | 0.235 |
| Rotatable Bonds | 4 |
| Rings | 2 (2 aromatic) |
| QED | 0.654 |
| SA Score | 2.21 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C17H18N2O4S |
| Exact Mass | 346.0987 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |