EGF-07238 Red
Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH][nH]c(=N)c34)cc2)c1
0.269
Platform Score
2D Structure
C21H18FN5O | Exact mass: 375.1495
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
97
TPSA
375
MW
5
HBD
4.7
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 | 375.40 Da |
| TPSA | 96.6 A^2 |
| HBD | 5 |
| HBA | 2 |
| SlogP | 4.73 |
| Fsp3 | 0.048 |
| Rotatable Bonds | 3 |
| Rings | 4 (4 aromatic) |
| QED | 0.351 |
| SA Score | 2.55 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C21H18FN5O |
| Exact Mass | 375.1495 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |