EGF-00042 Green
CC(N)C(=O)Nc1cc2c(=Nc3cc(Cl)ccc3Cl)[nH]cnc2s1
0.632
Platform Score
2D Structure
C15H13Cl2N5OS | Exact mass: 381.0218
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
96
TPSA
382
MW
3
HBD
3.5
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 | 382.30 Da |
| TPSA | 96.2 A^2 |
| HBD | 3 |
| HBA | 5 |
| SlogP | 3.45 |
| Fsp3 | 0.133 |
| Rotatable Bonds | 3 |
| Rings | 3 (3 aromatic) |
| QED | 0.647 |
| SA Score | 3.71 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C15H13Cl2N5OS |
| Exact Mass | 381.0218 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |