EGF-04841 Red
CN(C)Cc1cccc(-c2ccc(NC(=O)NCc3cnn(-c4ccc(C(=O)Nc5ccccc5N)cc4)c3)cc2)c1
0.195
Platform Score
2D Structure
C33H33N7O2 | Exact mass: 559.2696
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
117
TPSA
560
MW
4
HBD
5.8
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 | 559.70 Da |
| TPSA | 117.3 A^2 |
| HBD | 4 |
| HBA | 6 |
| SlogP | 5.76 |
| Fsp3 | 0.121 |
| Rotatable Bonds | 9 |
| Rings | 5 (5 aromatic) |
| QED | 0.171 |
| SA Score | 2.45 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C33H33N7O2 |
| Exact Mass | 559.2696 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |