EGF-05025 Red
N=c1[nH]c(=N)c2nc(-c3c(-c4ccccc4)nc4ncccn34)sc2[nH]1
0.262
Platform Score
2D Structure
C17H12N8S | Exact mass: 360.0906
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
122
TPSA
360
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 | 360.40 Da |
| TPSA | 122.4 A^2 |
| HBD | 4 |
| HBA | 7 |
| SlogP | 2.29 |
| Fsp3 | - |
| Rotatable Bonds | 2 |
| Rings | 5 (5 aromatic) |
| QED | 0.386 |
| SA Score | 3.42 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C17H12N8S |
| Exact Mass | 360.0906 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |