EGF-05876 Red
COc1cc(-c2cc(F)c(=O)n(C)c2)c(F)cc1-n1c(=O)ccc2cc(S(=O)(=O)N=c3cco[nH]3)ccc21
0.265
Platform Score
2D Structure
C25H18F2N4O6S | Exact mass: 540.0915
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
129
TPSA
540
MW
1
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 | 540.50 Da |
| TPSA | 128.7 A^2 |
| HBD | 1 |
| HBA | 8 |
| SlogP | 2.85 |
| Fsp3 | 0.080 |
| Rotatable Bonds | 5 |
| Rings | 5 (5 aromatic) |
| QED | 0.365 |
| SA Score | 3.51 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C25H18F2N4O6S |
| Exact Mass | 540.0915 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |