EGF-05955 Red
Cc1cccc(OCC(=O)N=Nc2c(O)[nH]c3ccc(C=Nn4cnnc4)cc23)c1
0.268
Platform Score
2D Structure
C20H17N7O3 | Exact mass: 403.1393
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
130
TPSA
403
MW
2
HBD
3.3
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 | 403.40 Da |
| TPSA | 130.1 A^2 |
| HBD | 2 |
| HBA | 8 |
| SlogP | 3.34 |
| Fsp3 | 0.100 |
| Rotatable Bonds | 6 |
| Rings | 4 (4 aromatic) |
| QED | 0.377 |
| SA Score | 3.24 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C20H17N7O3 |
| Exact Mass | 403.1393 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |