EGF-05578 Red
O=C(Nc1cncc(C(=O)c2c[nH]c3ncncc23)c1)c1ccc(-c2ccccc2)cc1
0.288
Platform Score
2D Structure
C25H17N5O2 | Exact mass: 419.1382
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
101
TPSA
419
MW
2
HBD
4.5
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 | 419.40 Da |
| TPSA | 100.6 A^2 |
| HBD | 2 |
| HBA | 5 |
| SlogP | 4.50 |
| Fsp3 | - |
| Rotatable Bonds | 5 |
| Rings | 5 (5 aromatic) |
| QED | 0.409 |
| SA Score | 2.36 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C25H17N5O2 |
| Exact Mass | 419.1382 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |