EGF-06359 Red
COC(=O)C1(C)CCCC2(C)C1C(O)CC1C3(C)CCC(=O)C(C)(C)C3(C)CCC12O
0.278
Platform Score
2D Structure
C26H42O5 | Exact mass: 434.3032
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
84
TPSA
435
MW
2
HBD
4.3
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 | 434.60 Da |
| TPSA | 83.8 A^2 |
| HBD | 2 |
| HBA | 5 |
| SlogP | 4.28 |
| Fsp3 | 0.923 |
| Rotatable Bonds | 1 |
| Rings | 4 (0 aromatic) |
| QED | 0.602 |
| SA Score | 5.03 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C26H42O5 |
| Exact Mass | 434.3032 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |