EGF-07242 Red
CC1CCCCN1S(=O)(=O)c1sc(Cl)cc1C1=NN(C(=O)CN(C)C)C(c2c(Cl)cccc2Cl)C1
0.256
Platform Score
2D Structure
C23H27Cl3N4O3S2 | Exact mass: 576.059
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
73
TPSA
578
MW
0
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 | 578.00 Da |
| TPSA | 73.3 A^2 |
| HBD | 0 |
| HBA | 6 |
| SlogP | 5.51 |
| Fsp3 | 0.478 |
| Rotatable Bonds | 6 |
| Rings | 4 (2 aromatic) |
| QED | 0.454 |
| SA Score | 3.79 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C23H27Cl3N4O3S2 |
| Exact Mass | 576.059 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |