EGF-05885 Red
Cc1cccc(-n2c(-c3c[nH]c4ccc(Br)cc34)n[nH]c2=S)c1
0.318
Platform Score
2D Structure
C17H13BrN4S | Exact mass: 384.0044
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
49
TPSA
385
MW
2
HBD
5.2
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 | 385.30 Da |
| TPSA | 49.4 A^2 |
| HBD | 2 |
| HBA | 3 |
| SlogP | 5.15 |
| Fsp3 | 0.059 |
| Rotatable Bonds | 2 |
| Rings | 4 (4 aromatic) |
| QED | 0.469 |
| SA Score | 2.48 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C17H13BrN4S |
| Exact Mass | 384.0044 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |