EGF-06464 Red
N=C1Nc2c(c(=O)[nH]c3ccc(OC(F)(F)F)cc23)C(c2cccc(F)c2)S1
0.295
Platform Score
2D Structure
C18H11F4N3O2S | Exact mass: 409.0508
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
78
TPSA
409
MW
3
HBD
4.8
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 | 409.40 Da |
| TPSA | 78.0 A^2 |
| HBD | 3 |
| HBA | 4 |
| SlogP | 4.75 |
| Fsp3 | 0.111 |
| Rotatable Bonds | 2 |
| Rings | 4 (3 aromatic) |
| QED | 0.534 |
| SA Score | 3.51 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C18H11F4N3O2S |
| Exact Mass | 409.0508 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |