EGF-07137 Red
Cc1nc(-c2ccc3ncsc3c2)cc(=Nc2ccc(Cl)cc2Cl)[nH]1
0.296
Platform Score
2D Structure
C18H12Cl2N4S | Exact mass: 386.016
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
54
TPSA
387
MW
1
HBD
5.5
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 | 387.30 Da |
| TPSA | 53.9 A^2 |
| HBD | 1 |
| HBA | 4 |
| SlogP | 5.53 |
| Fsp3 | 0.056 |
| Rotatable Bonds | 2 |
| Rings | 4 (4 aromatic) |
| QED | 0.491 |
| SA Score | 3.02 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C18H12Cl2N4S |
| Exact Mass | 386.016 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |