EGF-07411 Red
CCC(=O)N1C(=O)C2(c3c1ccc(Br)c3Br)c1c(n(C)c(=O)n(C)c1=S)OC(=N)C2C#N
0.262
Platform Score
2D Structure
C20H15Br2N5O4S | Exact mass: 578.9211
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
121
TPSA
581
MW
1
HBD
3.1
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 | 581.20 Da |
| TPSA | 121.2 A^2 |
| HBD | 1 |
| HBA | 9 |
| SlogP | 3.06 |
| Fsp3 | 0.300 |
| Rotatable Bonds | 1 |
| Rings | 4 (2 aromatic) |
| QED | 0.517 |
| SA Score | 5.12 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C20H15Br2N5O4S |
| Exact Mass | 578.9211 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |