EGF-01175 Yellow
C[N+](C)(C)CCCCNCc1ccc(Sc2ccc(Cl)cc2)cc1
0.517
Platform Score
2D Structure
C20H28ClN2S+ | Exact mass: 363.1656
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
12
TPSA
364
MW
1
HBD
5.1
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 | 364.00 Da |
| TPSA | 12.0 A^2 |
| HBD | 1 |
| HBA | 2 |
| SlogP | 5.07 |
| Fsp3 | 0.400 |
| Rotatable Bonds | 9 |
| Rings | 2 (2 aromatic) |
| QED | 0.493 |
| SA Score | 2.27 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C20H28ClN2S+ |
| Exact Mass | 363.1656 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |