EGF-04026 Red
CCSc1[nH]c(=N)nc2c1c(SC)nn2-c1ccc(S(N)(=O)=O)cc1
0.332
Platform Score
2D Structure
C14H16N6O2S3 | Exact mass: 396.0497
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
130
TPSA
396
MW
3
HBD
1.7
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 | 396.50 Da |
| TPSA | 130.5 A^2 |
| HBD | 3 |
| HBA | 8 |
| SlogP | 1.71 |
| Fsp3 | 0.214 |
| Rotatable Bonds | 5 |
| Rings | 3 (3 aromatic) |
| QED | 0.444 |
| SA Score | 3.21 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C14H16N6O2S3 |
| Exact Mass | 396.0497 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |