EGF-06514 Red
Cc1ccc(Cl)cc1NC(=S)Nn1c(O)c2c(c1O)C1(C)C=NC(C)C2C1
0.275
Platform Score
2D Structure
C19H21ClN4O2S | Exact mass: 404.1074
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
82
TPSA
405
MW
4
HBD
4.0
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 | 404.90 Da |
| TPSA | 81.8 A^2 |
| HBD | 4 |
| HBA | 5 |
| SlogP | 4.02 |
| Fsp3 | 0.368 |
| Rotatable Bonds | 2 |
| Rings | 4 (2 aromatic) |
| QED | 0.568 |
| SA Score | 5.17 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C19H21ClN4O2S |
| Exact Mass | 404.1074 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |