EGF-05077 Red
Cc1c(C(=O)NN=Cc2cccn2C)nn(-c2nc(C(=O)O)cs2)c1-c1ccc(F)cc1
0.285
Platform Score
2D Structure
C21H17FN6O3S | Exact mass: 452.1067
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
114
TPSA
452
MW
2
HBD
3.2
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 | 452.50 Da |
| TPSA | 114.4 A^2 |
| HBD | 2 |
| HBA | 8 |
| SlogP | 3.24 |
| Fsp3 | 0.095 |
| Rotatable Bonds | 6 |
| Rings | 4 (4 aromatic) |
| QED | 0.344 |
| SA Score | 2.84 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C21H17FN6O3S |
| Exact Mass | 452.1067 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |