EGF-05262 Red
CS(=O)(=O)c1ccc(C(O)(Cc2cc[n+]([O-])cc2)c2ccc(Cl)cc2)cc1
0.343
Platform Score
2D Structure
C20H18ClNO4S | Exact mass: 403.0645
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
81
TPSA
404
MW
1
HBD
2.9
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 | 403.90 Da |
| TPSA | 81.3 A^2 |
| HBD | 1 |
| HBA | 4 |
| SlogP | 2.86 |
| Fsp3 | 0.150 |
| Rotatable Bonds | 5 |
| Rings | 3 (3 aromatic) |
| QED | 0.524 |
| SA Score | 3.01 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C20H18ClNO4S |
| Exact Mass | 403.0645 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |