EGF-05932 Red
Cn1c(=S)[nH]c2nc3c(c(C#N)c21)C(c1ccc(Cl)cc1)Nc1ccccc1-3
0.266
Platform Score
2D Structure
C21H14ClN5S | Exact mass: 403.0658
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
69
TPSA
404
MW
2
HBD
5.3
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 | 403.90 Da |
| TPSA | 69.4 A^2 |
| HBD | 2 |
| HBA | 5 |
| SlogP | 5.34 |
| Fsp3 | 0.095 |
| Rotatable Bonds | 1 |
| Rings | 5 (4 aromatic) |
| QED | 0.421 |
| SA Score | 3.39 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C21H14ClN5S |
| Exact Mass | 403.0658 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |