EGF-00071 Green
Clc1cc2c(Nc3ccc(Br)cc3)[nH]nc2s1
0.677
Platform Score
2D Structure
C11H7BrClN3S | Exact mass: 326.9233
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
41
TPSA
329
MW
2
HBD
4.8
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 | 328.60 Da |
| TPSA | 40.7 A^2 |
| HBD | 2 |
| HBA | 3 |
| SlogP | 4.78 |
| Fsp3 | - |
| Rotatable Bonds | 2 |
| Rings | 3 (3 aromatic) |
| QED | 0.710 |
| SA Score | 2.64 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C11H7BrClN3S |
| Exact Mass | 326.9233 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |