EGF-05893 Red
COc1cccc2c1c(-c1ccc[nH]c1=O)c(C(=O)NS(C)(=O)=O)n2Cc1ccc(F)cc1
0.318
Platform Score
2D Structure
C23H20FN3O5S | Exact mass: 469.1108
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
110
TPSA
470
MW
2
HBD
2.9
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 | 469.50 Da |
| TPSA | 110.3 A^2 |
| HBD | 2 |
| HBA | 6 |
| SlogP | 2.88 |
| Fsp3 | 0.130 |
| Rotatable Bonds | 6 |
| Rings | 4 (4 aromatic) |
| QED | 0.451 |
| SA Score | 2.63 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C23H20FN3O5S |
| Exact Mass | 469.1108 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |