EGF-07377 Red
O=C(Nc1ccc(F)c(F)c1)c1nn(C2CCCN(CCCN3CCOCC3)C2)c2c1CS(=O)(=O)c1ccccc1-2
0.293
Platform Score
2D Structure
C29H33F2N5O4S | Exact mass: 585.2221
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
97
TPSA
586
MW
1
HBD
3.7
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 | 585.70 Da |
| TPSA | 96.8 A^2 |
| HBD | 1 |
| HBA | 8 |
| SlogP | 3.73 |
| Fsp3 | 0.448 |
| Rotatable Bonds | 7 |
| Rings | 6 (3 aromatic) |
| QED | 0.452 |
| SA Score | 3.39 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C29H33F2N5O4S |
| Exact Mass | 585.2221 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |