EGF-06246 Red
O=C(O)CCCC=CCC1C(NS(=O)(=O)c2ccc(F)cc2)C2CC1(c1ccc(F)cc1)CO2
0.240
Platform Score
2D Structure
C25H27F2NO5S | Exact mass: 491.1578
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
93
TPSA
492
MW
2
HBD
4.2
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 | 491.60 Da |
| TPSA | 92.7 A^2 |
| HBD | 2 |
| HBA | 4 |
| SlogP | 4.17 |
| Fsp3 | 0.400 |
| Rotatable Bonds | 10 |
| Rings | 4 (2 aromatic) |
| QED | 0.385 |
| SA Score | 4.67 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C25H27F2NO5S |
| Exact Mass | 491.1578 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |