EGF-06695 Red
COc1ccc2[nH]c(=O)c(CN(C(=O)COc3ccc(Cl)cc3Cl)C3CCS(=O)(=O)C3)cc2c1
0.316
Platform Score
2D Structure
C23H22Cl2N2O6S | Exact mass: 524.0576
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
106
TPSA
525
MW
1
HBD
3.4
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 | 525.40 Da |
| TPSA | 105.8 A^2 |
| HBD | 1 |
| HBA | 6 |
| SlogP | 3.44 |
| Fsp3 | 0.304 |
| Rotatable Bonds | 7 |
| Rings | 4 (3 aromatic) |
| QED | 0.507 |
| SA Score | 2.97 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C23H22Cl2N2O6S |
| Exact Mass | 524.0576 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |