EGF-07107 Red
CC(NC(=O)C(N)Cc1ccc(OCc2ccccc2)cc1)C(=O)N1CCCC1C(=O)O
0.291
Platform Score
2D Structure
C24H29N3O5 | Exact mass: 439.2107
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
122
TPSA
440
MW
3
HBD
1.7
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 | 439.50 Da |
| TPSA | 122.0 A^2 |
| HBD | 3 |
| HBA | 5 |
| SlogP | 1.72 |
| Fsp3 | 0.375 |
| Rotatable Bonds | 9 |
| Rings | 3 (2 aromatic) |
| QED | 0.547 |
| SA Score | 2.98 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C24H29N3O5 |
| Exact Mass | 439.2107 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |