EGF-04066 Red
CC(OC1CC2CCC(C1)N2C)C(=O)N(c1ccccc1)C1OC(CO)C(O)C1O
0.309
Platform Score
2D Structure
C22H32N2O6 | Exact mass: 420.226
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
103
TPSA
420
MW
3
HBD
0.5
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 | 420.50 Da |
| TPSA | 102.7 A^2 |
| HBD | 3 |
| HBA | 7 |
| SlogP | 0.49 |
| Fsp3 | 0.682 |
| Rotatable Bonds | 6 |
| Rings | 4 (1 aromatic) |
| QED | 0.615 |
| SA Score | 4.98 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C22H32N2O6 |
| Exact Mass | 420.226 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |