EGF-04220 Red
CCN(C(=O)C(NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(C)C)C1=NCCCC1
0.362
Platform Score
2D Structure
C18H26N4O5S | Exact mass: 410.1624
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
122
TPSA
410
MW
1
HBD
2.3
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 | 410.50 Da |
| TPSA | 122.0 A^2 |
| HBD | 1 |
| HBA | 6 |
| SlogP | 2.33 |
| Fsp3 | 0.556 |
| Rotatable Bonds | 7 |
| Rings | 2 (1 aromatic) |
| QED | 0.546 |
| SA Score | 3.20 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C18H26N4O5S |
| Exact Mass | 410.1624 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |