EGF-06823 Red
O=C(CN1CCN(C(=O)C2CN(C(=O)c3ccno3)CC2c2cccs2)CC1)c1ccc(F)cc1
0.319
Platform Score
2D Structure
C25H25FN4O4S | Exact mass: 496.1581
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
87
TPSA
497
MW
0
HBD
2.8
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 | 496.60 Da |
| TPSA | 87.0 A^2 |
| HBD | 0 |
| HBA | 7 |
| SlogP | 2.76 |
| Fsp3 | 0.360 |
| Rotatable Bonds | 6 |
| Rings | 5 (3 aromatic) |
| QED | 0.488 |
| SA Score | 3.43 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C25H25FN4O4S |
| Exact Mass | 496.1581 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |