EGF-06361 Red
CCCC(=NN=c1[nH]c(C)cc(=O)[nH]1)c1ccc([N+](=O)[O-])cc1
0.290
Platform Score
2D Structure
C15H17N5O3 | Exact mass: 315.1331
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
116
TPSA
315
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 | 315.30 Da |
| TPSA | 116.5 A^2 |
| HBD | 2 |
| HBA | 5 |
| SlogP | 2.02 |
| Fsp3 | 0.267 |
| Rotatable Bonds | 5 |
| Rings | 2 (2 aromatic) |
| QED | 0.499 |
| SA Score | 3.10 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C15H17N5O3 |
| Exact Mass | 315.1331 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |