EGF-06996 Red
COc1cc(C(O)CN(C)S(=O)(=O)c2ccccc2)c(N)c(OC)c1OC
0.320
Platform Score
2D Structure
C18H24N2O6S | Exact mass: 396.1355
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
111
TPSA
396
MW
2
HBD
1.6
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 | 396.50 Da |
| TPSA | 111.3 A^2 |
| HBD | 2 |
| HBA | 7 |
| SlogP | 1.65 |
| Fsp3 | 0.333 |
| Rotatable Bonds | 8 |
| Rings | 2 (2 aromatic) |
| QED | 0.653 |
| SA Score | 2.91 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C18H24N2O6S |
| Exact Mass | 396.1355 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |