EGF-05834 Red
COc1cc(C#N)cnc1-c1cccc(C(=O)N(c2ccc(O)cc2)c2cnn(C)c2)c1
0.308
Platform Score
2D Structure
C24H19N5O3 | Exact mass: 425.1488
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
104
TPSA
425
MW
1
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 | 425.40 Da |
| TPSA | 104.3 A^2 |
| HBD | 1 |
| HBA | 7 |
| SlogP | 4.05 |
| Fsp3 | 0.083 |
| Rotatable Bonds | 5 |
| Rings | 4 (4 aromatic) |
| QED | 0.517 |
| SA Score | 2.77 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C24H19N5O3 |
| Exact Mass | 425.1488 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |