EGF-04981 Red
CC12CCC3C(C(CC=CCCCC(=O)O)CC4C(C)(CO)C(O)CCC34C)C1CCC2O
0.205
Platform Score
2D Structure
C28H46O5 | Exact mass: 462.3345
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
98
TPSA
463
MW
4
HBD
4.8
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 | 462.70 Da |
| TPSA | 98.0 A^2 |
| HBD | 4 |
| HBA | 4 |
| SlogP | 4.79 |
| Fsp3 | 0.893 |
| Rotatable Bonds | 7 |
| Rings | 4 (0 aromatic) |
| QED | 0.322 |
| SA Score | 4.77 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C28H46O5 |
| Exact Mass | 462.3345 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |