EGF-07406 Red
CCc1nn(C(C)c2nc(-c3ccc(Cl)cc3)cs2)c2c(Cl)c(N3CCOCC3)cc(=O)n12
0.270
Platform Score
2D Structure
C23H23Cl2N5O2S | Exact mass: 503.095
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
65
TPSA
504
MW
0
HBD
4.9
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 | 504.40 Da |
| TPSA | 64.7 A^2 |
| HBD | 0 |
| HBA | 8 |
| SlogP | 4.93 |
| Fsp3 | 0.348 |
| Rotatable Bonds | 5 |
| Rings | 5 (4 aromatic) |
| QED | 0.386 |
| SA Score | 3.50 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C23H23Cl2N5O2S |
| Exact Mass | 503.095 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |