EGF-06641 Red
CNC(CN=c1[nH]cnc2c1ncn2C1CC(=CCO)C(O)C1O)c1ccccc1
0.167
Platform Score
2D Structure
C21H26N6O3 | Exact mass: 410.2066
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
132
TPSA
410
MW
5
HBD
0.2
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 | 410.50 Da |
| TPSA | 131.6 A^2 |
| HBD | 5 |
| HBA | 8 |
| SlogP | 0.21 |
| Fsp3 | 0.381 |
| Rotatable Bonds | 6 |
| Rings | 4 (3 aromatic) |
| QED | 0.369 |
| SA Score | 4.72 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C21H26N6O3 |
| Exact Mass | 410.2066 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |