EGF-05031 Red
COc1cc(C(C)=O)ccc1OCCCCOc1ccc(NC(=O)CC2(CC(=O)O)CCCC2)cc1
0.226
Platform Score
2D Structure
C28H35NO7 | Exact mass: 497.2414
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
111
TPSA
498
MW
2
HBD
5.5
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 | 497.60 Da |
| TPSA | 111.2 A^2 |
| HBD | 2 |
| HBA | 6 |
| SlogP | 5.50 |
| Fsp3 | 0.464 |
| Rotatable Bonds | 14 |
| Rings | 3 (2 aromatic) |
| QED | 0.262 |
| SA Score | 2.40 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C28H35NO7 |
| Exact Mass | 497.2414 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |