EGF-06980 Red
N=c1[nH][nH]cc1-c1cc(Cl)ccc1Oc1ccc(S(=O)(=O)N=c2cccn[nH]2)cc1Cl
0.244
Platform Score
2D Structure
C19H14Cl2N6O3S | Exact mass: 476.0225
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
140
TPSA
477
MW
4
HBD
3.6
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 | 477.30 Da |
| TPSA | 139.8 A^2 |
| HBD | 4 |
| HBA | 5 |
| SlogP | 3.60 |
| Fsp3 | - |
| Rotatable Bonds | 5 |
| Rings | 4 (4 aromatic) |
| QED | 0.349 |
| SA Score | 3.45 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C19H14Cl2N6O3S |
| Exact Mass | 476.0225 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |