EGF-05378 Red
CSc1nn2c(Cc3cccc(Cl)c3)c3ccc(C)cc3c2cc1C#N
0.298
Platform Score
2D Structure
C21H16ClN3S | Exact mass: 377.0753
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
41
TPSA
378
MW
0
HBD
5.6
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 | 377.90 Da |
| TPSA | 41.1 A^2 |
| HBD | 0 |
| HBA | 4 |
| SlogP | 5.63 |
| Fsp3 | 0.143 |
| Rotatable Bonds | 3 |
| Rings | 4 (4 aromatic) |
| QED | 0.434 |
| SA Score | 2.74 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C21H16ClN3S |
| Exact Mass | 377.0753 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |