EGF-05823 Red
O=NN1Cc2c(sc3[nH]c(C(F)(F)F)nc(=O)c23)C1c1c[nH]c2ccccc12
0.281
Platform Score
2D Structure
C17H10F3N5O2S | Exact mass: 405.0507
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
94
TPSA
405
MW
2
HBD
4.1
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 | 405.40 Da |
| TPSA | 94.2 A^2 |
| HBD | 2 |
| HBA | 5 |
| SlogP | 4.07 |
| Fsp3 | 0.176 |
| Rotatable Bonds | 2 |
| Rings | 5 (4 aromatic) |
| QED | 0.492 |
| SA Score | 3.93 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C17H10F3N5O2S |
| Exact Mass | 405.0507 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |