EGF-06380 Red
CSc1ccc(C=C2SC(=S)N(CCCn3ccnc3)C2=O)cc1
0.350
Platform Score
2D Structure
C17H17N3OS3 | Exact mass: 375.0534
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
38
TPSA
376
MW
0
HBD
3.9
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 | 375.50 Da |
| TPSA | 38.1 A^2 |
| HBD | 0 |
| HBA | 6 |
| SlogP | 3.90 |
| Fsp3 | 0.235 |
| Rotatable Bonds | 6 |
| Rings | 3 (2 aromatic) |
| QED | 0.435 |
| SA Score | 2.48 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C17H17N3OS3 |
| Exact Mass | 375.0534 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |