EGF-06934 Red
CCN(CC)S(=O)(=O)c1cc(Cl)ccc1N1C(=N)C(C#N)C(c2ccccc2Br)C2C(=O)CCC=C21
0.218
Platform Score
2D Structure
C26H26BrClN4O3S | Exact mass: 588.0598
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
105
TPSA
590
MW
1
HBD
5.7
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 | 589.90 Da |
| TPSA | 105.3 A^2 |
| HBD | 1 |
| HBA | 5 |
| SlogP | 5.72 |
| Fsp3 | 0.346 |
| Rotatable Bonds | 6 |
| Rings | 4 (2 aromatic) |
| QED | 0.464 |
| SA Score | 4.27 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C26H26BrClN4O3S |
| Exact Mass | 588.0598 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |