EGF-06642 Red
CS(=O)(=O)CCN=c1ccc(-n2c(O)c3c(c2O)C2CCC3C2)c[nH]1
0.289
Platform Score
2D Structure
C17H21N3O4S | Exact mass: 363.1253
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
108
TPSA
363
MW
3
HBD
1.5
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 | 363.40 Da |
| TPSA | 107.7 A^2 |
| HBD | 3 |
| HBA | 6 |
| SlogP | 1.53 |
| Fsp3 | 0.471 |
| Rotatable Bonds | 4 |
| Rings | 4 (2 aromatic) |
| QED | 0.765 |
| SA Score | 5.03 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C17H21N3O4S |
| Exact Mass | 363.1253 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |