EGF-00648 Green
Cc1cc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)ccc1Br
0.565
Platform Score
2D Structure
C18H17BrN2O5S | Exact mass: 452.0042
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
98
TPSA
453
MW
1
HBD
3.0
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 | 453.30 Da |
| TPSA | 98.4 A^2 |
| HBD | 1 |
| HBA | 6 |
| SlogP | 3.00 |
| Fsp3 | 0.222 |
| Rotatable Bonds | 5 |
| Rings | 3 (3 aromatic) |
| QED | 0.641 |
| SA Score | 2.39 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C18H17BrN2O5S |
| Exact Mass | 452.0042 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |