EGF-00055 LEAD Green
NCc1cn2c(n1)CN(Cc1cccc(Br)c1)CC2
0.745
Platform Score
2D Structure
C14H17BrN4 | Exact mass: 320.0637
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
47
TPSA
321
MW
1
HBD
2.1
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 | 321.20 Da |
| TPSA | 47.1 A^2 |
| HBD | 1 |
| HBA | 4 |
| SlogP | 2.12 |
| Fsp3 | 0.357 |
| Rotatable Bonds | 3 |
| Rings | 3 (2 aromatic) |
| QED | 0.942 |
| SA Score | 2.52 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C14H17BrN4 |
| Exact Mass | 320.0637 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |