EGF-00237 Green
S=C(NCCN1CCOCC1)Nc1ccc(Cl)c(Cl)c1
0.696
Platform Score
2D Structure
C13H17Cl2N3OS | Exact mass: 333.0469
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
36
TPSA
334
MW
2
HBD
2.6
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 | 334.30 Da |
| TPSA | 36.5 A^2 |
| HBD | 2 |
| HBA | 3 |
| SlogP | 2.61 |
| Fsp3 | 0.462 |
| Rotatable Bonds | 4 |
| Rings | 2 (1 aromatic) |
| QED | 0.828 |
| SA Score | 2.00 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C13H17Cl2N3OS |
| Exact Mass | 333.0469 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |