EGF-03441 Red
COCCN1C(=O)C(=O)N(CCCCSCC(=O)N=c2[nH]ccs2)C1=S
0.325
Platform Score
2D Structure
C15H20N4O4S3 | Exact mass: 416.0647
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
95
TPSA
417
MW
1
HBD
0.6
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 | 416.60 Da |
| TPSA | 95.1 A^2 |
| HBD | 1 |
| HBA | 7 |
| SlogP | 0.62 |
| Fsp3 | 0.533 |
| Rotatable Bonds | 10 |
| Rings | 2 (1 aromatic) |
| QED | 0.341 |
| SA Score | 3.42 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C15H20N4O4S3 |
| Exact Mass | 416.0647 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |