EGF-04892 Red
CNC(=O)c1ccc(-c2cc(=NC3CC3)n3ncc(=Cc4[nH]c(=S)[nH]c4O)c3n2)s1
0.225
Platform Score
2D Structure
C19H17N7O2S2 | Exact mass: 439.0885
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
124
TPSA
440
MW
4
HBD
1.5
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 | 439.50 Da |
| TPSA | 123.5 A^2 |
| HBD | 4 |
| HBA | 8 |
| SlogP | 1.52 |
| Fsp3 | 0.211 |
| Rotatable Bonds | 4 |
| Rings | 5 (4 aromatic) |
| QED | 0.359 |
| SA Score | 3.88 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C19H17N7O2S2 |
| Exact Mass | 439.0885 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |