EGF-06845 Red
O=C(NS(=O)(=O)C=Cc1ccccc1)c1cc(COc2c(Cl)cc(Cl)c(F)c2Cl)no1
0.252
Platform Score
2D Structure
C19H12Cl3FN2O5S | Exact mass: 503.9517
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
98
TPSA
506
MW
1
HBD
5.1
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 | 505.70 Da |
| TPSA | 98.5 A^2 |
| HBD | 1 |
| HBA | 6 |
| SlogP | 5.08 |
| Fsp3 | 0.053 |
| Rotatable Bonds | 7 |
| Rings | 3 (3 aromatic) |
| QED | 0.355 |
| SA Score | 2.88 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C19H12Cl3FN2O5S |
| Exact Mass | 503.9517 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |