EGF-04802 Red
Cc1ccccc1C(=O)N=c1[nH]c(C(N=c2[nH]ccs2)c2ccc(Cl)cc2)cs1
0.271
Platform Score
2D Structure
C21H17ClN4OS2 | Exact mass: 440.0532
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
73
TPSA
441
MW
2
HBD
4.9
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 | 441.00 Da |
| TPSA | 73.4 A^2 |
| HBD | 2 |
| HBA | 4 |
| SlogP | 4.86 |
| Fsp3 | 0.095 |
| Rotatable Bonds | 4 |
| Rings | 4 (4 aromatic) |
| QED | 0.467 |
| SA Score | 3.94 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C21H17ClN4OS2 |
| Exact Mass | 440.0532 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |