EGF-00059 Green
O=S(=O)(N=c1[nH]cc(Br)s1)c1cc(Cl)c(Cl)s1
0.694
Platform Score
2D Structure
C7H3BrCl2N2O2S3 | Exact mass: 391.7917
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
62
TPSA
394
MW
1
HBD
3.5
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 | 394.10 Da |
| TPSA | 62.3 A^2 |
| HBD | 1 |
| HBA | 4 |
| SlogP | 3.50 |
| Fsp3 | - |
| Rotatable Bonds | 2 |
| Rings | 2 (2 aromatic) |
| QED | 0.848 |
| SA Score | 3.76 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C7H3BrCl2N2O2S3 |
| Exact Mass | 391.7917 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |