EGF-04851 Red
CC(=O)Nc1c(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2n1CC(=O)Nc1cccc(Cl)c1C
0.244
Platform Score
2D Structure
C25H21Cl2N3O4S | Exact mass: 529.063
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
97
TPSA
530
MW
2
HBD
5.7
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 | 530.40 Da |
| TPSA | 97.3 A^2 |
| HBD | 2 |
| HBA | 5 |
| SlogP | 5.69 |
| Fsp3 | 0.120 |
| Rotatable Bonds | 6 |
| Rings | 4 (4 aromatic) |
| QED | 0.335 |
| SA Score | 2.46 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C25H21Cl2N3O4S |
| Exact Mass | 529.063 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |