EGF-06640 Red
O=C(c1ccc(Cl)cc1)c1nnc(N(Cc2ccccc2Cl)S(=O)(=O)c2ccccc2)s1
0.257
Platform Score
2D Structure
C22H15Cl2N3O3S2 | Exact mass: 502.9932
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
80
TPSA
504
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 | 504.40 Da |
| TPSA | 80.2 A^2 |
| HBD | 0 |
| HBA | 6 |
| SlogP | 5.47 |
| Fsp3 | 0.045 |
| Rotatable Bonds | 7 |
| Rings | 4 (4 aromatic) |
| QED | 0.312 |
| SA Score | 2.45 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C22H15Cl2N3O3S2 |
| Exact Mass | 502.9932 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |