EGF-05594 Red
Cn1cc(S(=O)(=O)N(Cc2cccc(C(F)(F)F)c2)C2Cc3cc(C#N)ccc3N(Cc3cncn3C)C2)cn1
0.259
Platform Score
2D Structure
C27H26F3N7O2S | Exact mass: 569.1821
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
100
TPSA
570
MW
0
HBD
3.9
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 | 569.60 Da |
| TPSA | 100.0 A^2 |
| HBD | 0 |
| HBA | 8 |
| SlogP | 3.87 |
| Fsp3 | 0.296 |
| Rotatable Bonds | 7 |
| Rings | 5 (4 aromatic) |
| QED | 0.335 |
| SA Score | 3.58 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C27H26F3N7O2S |
| Exact Mass | 569.1821 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |