EGF-05340 Red
Cc1cc2cc(C=Nc3ccc(S(=O)(=O)N=c4[nH]ccs4)cc3)c(=S)[nH]c2cc1C
0.244
Platform Score
2D Structure
C21H18N4O2S3 | Exact mass: 454.0592
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
90
TPSA
455
MW
2
HBD
4.9
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 | 454.60 Da |
| TPSA | 90.4 A^2 |
| HBD | 2 |
| HBA | 5 |
| SlogP | 4.94 |
| Fsp3 | 0.095 |
| Rotatable Bonds | 4 |
| Rings | 4 (4 aromatic) |
| QED | 0.338 |
| SA Score | 3.41 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C21H18N4O2S3 |
| Exact Mass | 454.0592 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |