EGF-05452 Red
CC1(C)OC(c2ccc(S(C)(=O)=O)cc2)=C(c2ccc([N+](=O)[O-])o2)C1=O
0.336
Platform Score
2D Structure
C17H15NO7S | Exact mass: 377.0569
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
117
TPSA
377
MW
0
HBD
2.8
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 | 377.40 Da |
| TPSA | 116.7 A^2 |
| HBD | 0 |
| HBA | 7 |
| SlogP | 2.84 |
| Fsp3 | 0.235 |
| Rotatable Bonds | 4 |
| Rings | 3 (2 aromatic) |
| QED | 0.594 |
| SA Score | 2.81 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C17H15NO7S |
| Exact Mass | 377.0569 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |