EGF-04938 Red
CC=C1CC2(C)Cc3cnn(-c4ccc(F)cc4)c3C=C2C(C(=O)O)C1CCN
0.340
Platform Score
2D Structure
C23H26FN3O2 | Exact mass: 395.2009
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
81
TPSA
396
MW
2
HBD
4.0
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 | 395.50 Da |
| TPSA | 81.1 A^2 |
| HBD | 2 |
| HBA | 4 |
| SlogP | 3.97 |
| Fsp3 | 0.391 |
| Rotatable Bonds | 4 |
| Rings | 4 (2 aromatic) |
| QED | 0.768 |
| SA Score | 4.27 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C23H26FN3O2 |
| Exact Mass | 395.2009 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |