EGF-05137 Red
CC(C)Cn1c(N)c(N(C)C(C)COC(=O)C(=O)N2CCc3ccccc3C2)c(=O)[nH]c1=O
0.238
Platform Score
2D Structure
C23H31N5O5 | Exact mass: 457.2325
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
131
TPSA
458
MW
2
HBD
0.7
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 | 457.50 Da |
| TPSA | 130.7 A^2 |
| HBD | 2 |
| HBA | 8 |
| SlogP | 0.73 |
| Fsp3 | 0.478 |
| Rotatable Bonds | 6 |
| Rings | 3 (2 aromatic) |
| QED | 0.483 |
| SA Score | 3.33 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C23H31N5O5 |
| Exact Mass | 457.2325 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |