EGF-06912 Red
O=C(O)c1[nH]c2cc(Cl)cc(Cl)c2c1S(=O)(=O)Nc1cccc(Cl)c1
0.316
Platform Score
2D Structure
C15H9Cl3N2O4S | Exact mass: 417.9349
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
99
TPSA
420
MW
3
HBD
4.6
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 | 419.70 Da |
| TPSA | 99.3 A^2 |
| HBD | 3 |
| HBA | 3 |
| SlogP | 4.63 |
| Fsp3 | - |
| Rotatable Bonds | 4 |
| Rings | 3 (3 aromatic) |
| QED | 0.574 |
| SA Score | 2.49 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C15H9Cl3N2O4S |
| Exact Mass | 417.9349 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |