EGF-00858 Yellow
Cn1c(=O)c2c(nc(SCC(=O)Nc3cccc(Cl)c3)n2C)n(C)c1=O
0.525
Platform Score
2D Structure
C16H16ClN5O3S | Exact mass: 393.0662
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
91
TPSA
394
MW
1
HBD
1.4
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 | 393.90 Da |
| TPSA | 90.9 A^2 |
| HBD | 1 |
| HBA | 8 |
| SlogP | 1.35 |
| Fsp3 | 0.250 |
| Rotatable Bonds | 4 |
| Rings | 3 (3 aromatic) |
| QED | 0.676 |
| SA Score | 2.27 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C16H16ClN5O3S |
| Exact Mass | 393.0662 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |