EGF-07382 Red
CCc1cc(=NCCc2ccc([N+](=O)[O-])cc2)[nH]c(=NCCN(C)C)[nH]1
0.287
Platform Score
2D Structure
C18H26N6O2 | Exact mass: 358.2117
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
103
TPSA
358
MW
2
HBD
1.4
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 | 358.40 Da |
| TPSA | 102.7 A^2 |
| HBD | 2 |
| HBA | 5 |
| SlogP | 1.42 |
| Fsp3 | 0.444 |
| Rotatable Bonds | 8 |
| Rings | 2 (2 aromatic) |
| QED | 0.551 |
| SA Score | 3.40 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C18H26N6O2 |
| Exact Mass | 358.2117 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |