EGF-06146 Red
CCN(c1ccccc1)S(=O)(=O)c1ccc2oc(=O)cc(CN(C)Cc3ccccc3)c2c1
0.297
Platform Score
2D Structure
C26H26N2O4S | Exact mass: 462.1613
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
71
TPSA
463
MW
0
HBD
4.6
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 | 462.60 Da |
| TPSA | 70.8 A^2 |
| HBD | 0 |
| HBA | 5 |
| SlogP | 4.64 |
| Fsp3 | 0.192 |
| Rotatable Bonds | 8 |
| Rings | 4 (4 aromatic) |
| QED | 0.357 |
| SA Score | 2.30 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C26H26N2O4S |
| Exact Mass | 462.1613 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |