EGF-05850 Red
COc1cc(C=CS(=O)(=O)Nc2ccc(Oc3ccccc3C(C)C)c([N+](=O)[O-])c2)cc(OC)c1OC
0.194
Platform Score
2D Structure
C26H28N2O8S | Exact mass: 528.1566
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
126
TPSA
529
MW
1
HBD
6.0
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 | 528.60 Da |
| TPSA | 126.2 A^2 |
| HBD | 1 |
| HBA | 8 |
| SlogP | 5.95 |
| Fsp3 | 0.231 |
| Rotatable Bonds | 11 |
| Rings | 3 (3 aromatic) |
| QED | 0.239 |
| SA Score | 2.58 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C26H28N2O8S |
| Exact Mass | 528.1566 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |