EGF-05734 Red
COc1cc(COCCCc2cccc(Cc3ccc(O)c(C=O)c3)c2)cc(N=[N+]=[N-])c1
0.185
Platform Score
2D Structure
C25H25N3O4 | Exact mass: 431.1845
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
104
TPSA
432
MW
1
HBD
5.9
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 | 431.50 Da |
| TPSA | 104.5 A^2 |
| HBD | 1 |
| HBA | 5 |
| SlogP | 5.90 |
| Fsp3 | 0.240 |
| Rotatable Bonds | 11 |
| Rings | 3 (3 aromatic) |
| QED | 0.134 |
| SA Score | 2.78 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C25H25N3O4 |
| Exact Mass | 431.1845 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |