EGF-06190 Red
CC12CC(=O)C3(C1)C(=O)OC1(Cc4ccc(O)c(Br)c4C1)C3O2
0.251
Platform Score
2D Structure
C17H15BrO5 | Exact mass: 378.0103
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
73
TPSA
379
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 | 379.20 Da |
| TPSA | 72.8 A^2 |
| HBD | 1 |
| HBA | 5 |
| SlogP | 2.06 |
| Fsp3 | 0.529 |
| Rotatable Bonds | 0 |
| Rings | 5 (1 aromatic) |
| QED | 0.552 |
| SA Score | 6.35 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C17H15BrO5 |
| Exact Mass | 378.0103 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |