EGF-05232 Red
CC1(C)COC2(CCC3(C)C(CCC4C5CCC(=O)C5(C)CCC43)C2)OC1
0.285
Platform Score
2D Structure
C24H38O3 | Exact mass: 374.2821
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
36
TPSA
375
MW
0
HBD
5.4
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 | 374.60 Da |
| TPSA | 35.5 A^2 |
| HBD | 0 |
| HBA | 3 |
| SlogP | 5.37 |
| Fsp3 | 0.958 |
| Rotatable Bonds | 0 |
| Rings | 5 (0 aromatic) |
| QED | 0.572 |
| SA Score | 4.77 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C24H38O3 |
| Exact Mass | 374.2821 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |