EGF-00112 Green
CC(=O)Oc1c(Br)cc(NC(=O)c2ccc(Cl)cc2Cl)cc1Br
0.585
Platform Score
2D Structure
C15H9Br2Cl2NO3 | Exact mass: 478.8326
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
55
TPSA
482
MW
1
HBD
5.7
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 | 482.00 Da |
| TPSA | 55.4 A^2 |
| HBD | 1 |
| HBA | 3 |
| SlogP | 5.70 |
| Fsp3 | 0.067 |
| Rotatable Bonds | 3 |
| Rings | 2 (2 aromatic) |
| QED | 0.452 |
| SA Score | 2.13 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C15H9Br2Cl2NO3 |
| Exact Mass | 478.8326 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |