EGF-05589 Red
N=c1[nH]c(=NC2CCCCC2)c2nc(C#Cc3ccccc3)[nH]c2[nH]1
0.301
Platform Score
2D Structure
C19H20N6 | Exact mass: 332.1749
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
96
TPSA
332
MW
4
HBD
2.3
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 | 332.40 Da |
| TPSA | 96.5 A^2 |
| HBD | 4 |
| HBA | 3 |
| SlogP | 2.33 |
| Fsp3 | 0.316 |
| Rotatable Bonds | 1 |
| Rings | 4 (3 aromatic) |
| QED | 0.506 |
| SA Score | 3.58 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C19H20N6 |
| Exact Mass | 332.1749 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |