EGF-06012 Red
Cc1cc(=O)c(C2=NN(C(N)=S)C(c3ccc([N+](=O)[O-])cc3)C2)c(O)o1
0.263
Platform Score
2D Structure
C16H14N4O5S | Exact mass: 374.0685
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
135
TPSA
374
MW
2
HBD
2.0
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 | 374.40 Da |
| TPSA | 135.2 A^2 |
| HBD | 2 |
| HBA | 7 |
| SlogP | 1.96 |
| Fsp3 | 0.188 |
| Rotatable Bonds | 3 |
| Rings | 3 (2 aromatic) |
| QED | 0.473 |
| SA Score | 3.36 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C16H14N4O5S |
| Exact Mass | 374.0685 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |