EGF-00152 Green
CC1(C)C(c2ccc(Br)s2)=[N+]([O-])C(C)(C)N1O
0.641
Platform Score
2D Structure
C11H15BrN2O2S | Exact mass: 318.0038
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
50
TPSA
319
MW
1
HBD
3.0
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 | 319.20 Da |
| TPSA | 49.5 A^2 |
| HBD | 1 |
| HBA | 4 |
| SlogP | 3.03 |
| Fsp3 | 0.545 |
| Rotatable Bonds | 1 |
| Rings | 2 (1 aromatic) |
| QED | 0.639 |
| SA Score | 3.50 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C11H15BrN2O2S |
| Exact Mass | 318.0038 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |