EGF-03561 Red
O=C(NN=c1cn[nH]c(=S)n1-c1ccccc1)c1ccc([N+](=O)[O-])o1
0.350
Platform Score
2D Structure
C14H10N6O4S | Exact mass: 358.0484
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
131
TPSA
358
MW
2
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 | 358.30 Da |
| TPSA | 131.4 A^2 |
| HBD | 2 |
| HBA | 8 |
| SlogP | 1.68 |
| Fsp3 | - |
| Rotatable Bonds | 4 |
| Rings | 3 (3 aromatic) |
| QED | 0.414 |
| SA Score | 2.89 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C14H10N6O4S |
| Exact Mass | 358.0484 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |