EGF-04057 Red
Cc1c[nH]c(=Nc2ccc(S(N)(=O)=O)cc2)nc1-c1nc2ccc(F)nc2n1C(C)C
0.357
Platform Score
2D Structure
C20H20FN7O2S | Exact mass: 441.1383
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
132
TPSA
442
MW
2
HBD
2.7
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 | 441.50 Da |
| TPSA | 131.9 A^2 |
| HBD | 2 |
| HBA | 7 |
| SlogP | 2.73 |
| Fsp3 | 0.200 |
| Rotatable Bonds | 4 |
| Rings | 4 (4 aromatic) |
| QED | 0.470 |
| SA Score | 3.31 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C20H20FN7O2S |
| Exact Mass | 441.1383 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |