EGF-05022 Red
CCCC(=O)N1CCC(COc2ccc3c(c2)c(C(=O)OCC)c(C)n3Cc2ccccc2)CC1
0.284
Platform Score
2D Structure
C29H36N2O4 | Exact mass: 476.2675
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
61
TPSA
477
MW
0
HBD
5.6
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 | 476.60 Da |
| TPSA | 60.8 A^2 |
| HBD | 0 |
| HBA | 5 |
| SlogP | 5.59 |
| Fsp3 | 0.448 |
| Rotatable Bonds | 9 |
| Rings | 4 (3 aromatic) |
| QED | 0.378 |
| SA Score | 2.35 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C29H36N2O4 |
| Exact Mass | 476.2675 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |