EGF-00044 Green
O=C(Nc1cc(Br)c(O)c(Br)c1)Nc1c(Cl)cccc1Cl
0.604
Platform Score
2D Structure
C13H8Br2Cl2N2O2 | Exact mass: 451.833
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
61
TPSA
455
MW
3
HBD
5.9
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 | 454.90 Da |
| TPSA | 61.4 A^2 |
| HBD | 3 |
| HBA | 2 |
| SlogP | 5.87 |
| Fsp3 | - |
| Rotatable Bonds | 2 |
| Rings | 2 (2 aromatic) |
| QED | 0.497 |
| SA Score | 2.18 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C13H8Br2Cl2N2O2 |
| Exact Mass | 451.833 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |