EGF-03684 Red
Cc1ccc(S(=O)(=O)n2cccc2CCNC(=S)Nc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)cc1
0.337
Platform Score
2D Structure
C21H19F3N4O4S2 | Exact mass: 512.08
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
106
TPSA
512
MW
2
HBD
4.5
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 | 512.50 Da |
| TPSA | 106.3 A^2 |
| HBD | 2 |
| HBA | 6 |
| SlogP | 4.49 |
| Fsp3 | 0.190 |
| Rotatable Bonds | 7 |
| Rings | 3 (3 aromatic) |
| QED | 0.273 |
| SA Score | 2.71 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C21H19F3N4O4S2 |
| Exact Mass | 512.08 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |