EGF-05799 Red
CNN1CCc2oc3cc(OS(N)(=O)=O)c(C)cc3c2C1=O
0.319
Platform Score
2D Structure
C13H15N3O5S | Exact mass: 325.0732
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
115
TPSA
325
MW
2
HBD
0.5
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 | 325.30 Da |
| TPSA | 114.9 A^2 |
| HBD | 2 |
| HBA | 6 |
| SlogP | 0.46 |
| Fsp3 | 0.308 |
| Rotatable Bonds | 3 |
| Rings | 3 (2 aromatic) |
| QED | 0.847 |
| SA Score | 3.18 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C13H15N3O5S |
| Exact Mass | 325.0732 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |