EGF-03686 Red
CSc1nn(-c2ccc(Cl)cc2Cl)c(Cl)c1C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
0.354
Platform Score
2D Structure
C19H16Cl4N4O3S3 | Exact mass: 583.9139
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
76
TPSA
586
MW
0
HBD
5.4
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 | 586.40 Da |
| TPSA | 75.5 A^2 |
| HBD | 0 |
| HBA | 7 |
| SlogP | 5.42 |
| Fsp3 | 0.263 |
| Rotatable Bonds | 5 |
| Rings | 4 (3 aromatic) |
| QED | 0.374 |
| SA Score | 2.75 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C19H16Cl4N4O3S3 |
| Exact Mass | 583.9139 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |