EGF-05172 Red
CC1(O)CCC(CCC2OC(CNCc3ccccc3)C(O)C(O)C2O)OC1(C)C
0.231
Platform Score
2D Structure
C23H37NO6 | Exact mass: 423.2621
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
111
TPSA
424
MW
5
HBD
1.1
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 | 423.60 Da |
| TPSA | 111.4 A^2 |
| HBD | 5 |
| HBA | 7 |
| SlogP | 1.12 |
| Fsp3 | 0.739 |
| Rotatable Bonds | 7 |
| Rings | 3 (1 aromatic) |
| QED | 0.447 |
| SA Score | 4.27 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C23H37NO6 |
| Exact Mass | 423.2621 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |