EGF-05250 Red
CSc1ccc(CCNC(=O)Cn2c(=O)n(CC(=O)Nc3cccc(C)c3)c(=O)c3ccccc32)cc1
0.306
Platform Score
2D Structure
C28H28N4O4S | Exact mass: 516.1831
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
102
TPSA
517
MW
2
HBD
3.2
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 | 516.60 Da |
| TPSA | 102.2 A^2 |
| HBD | 2 |
| HBA | 7 |
| SlogP | 3.19 |
| Fsp3 | 0.214 |
| Rotatable Bonds | 9 |
| Rings | 4 (4 aromatic) |
| QED | 0.333 |
| SA Score | 2.31 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C28H28N4O4S |
| Exact Mass | 516.1831 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |