EGF-06747 Red
O=c1[nH]c2cc(F)c(S(=O)(=O)N3CCC(c4ccc(F)cc4)CC3)cc2[nH]c1=O
0.343
Platform Score
2D Structure
C19H17F2N3O4S | Exact mass: 421.0908
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
103
TPSA
421
MW
2
HBD
2.1
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 | 421.40 Da |
| TPSA | 103.1 A^2 |
| HBD | 2 |
| HBA | 4 |
| SlogP | 2.06 |
| Fsp3 | 0.263 |
| Rotatable Bonds | 3 |
| Rings | 4 (3 aromatic) |
| QED | 0.632 |
| SA Score | 2.45 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C19H17F2N3O4S |
| Exact Mass | 421.0908 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |