EGF-05550 Red
CCc1ccc(C=Cc2ccc(F)c(C(=O)SC)c2)cc1Oc1c[nH]c(=N)[nH]c1=N
0.266
Platform Score
2D Structure
C22H21FN4O2S | Exact mass: 424.1369
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
106
TPSA
424
MW
4
HBD
4.5
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 | 424.50 Da |
| TPSA | 105.6 A^2 |
| HBD | 4 |
| HBA | 5 |
| SlogP | 4.47 |
| Fsp3 | 0.136 |
| Rotatable Bonds | 6 |
| Rings | 3 (3 aromatic) |
| QED | 0.439 |
| SA Score | 3.37 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C22H21FN4O2S |
| Exact Mass | 424.1369 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |