EGF-06785 Red
CC(=O)c1cc(Br)c(OCC(O)Cn2cncn2)cc1O
0.341
Platform Score
2D Structure
C13H14BrN3O4 | Exact mass: 355.0168
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
98
TPSA
356
MW
2
HBD
1.4
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 | 356.20 Da |
| TPSA | 97.5 A^2 |
| HBD | 2 |
| HBA | 7 |
| SlogP | 1.39 |
| Fsp3 | 0.308 |
| Rotatable Bonds | 6 |
| Rings | 2 (2 aromatic) |
| QED | 0.760 |
| SA Score | 3.04 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C13H14BrN3O4 |
| Exact Mass | 355.0168 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |