EGF-05320 Red
CCCN1C(=O)C(CC2(C(=O)NCCC(C)C)CCCC2)C(=O)C12CCN(Cc1ccc(S(C)(=O)=O)cc1)CC2
0.256
Platform Score
2D Structure
C31H47N3O5S | Exact mass: 573.3236
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
104
TPSA
574
MW
1
HBD
4.0
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 | 573.80 Da |
| TPSA | 103.9 A^2 |
| HBD | 1 |
| HBA | 6 |
| SlogP | 3.98 |
| Fsp3 | 0.710 |
| Rotatable Bonds | 11 |
| Rings | 4 (1 aromatic) |
| QED | 0.402 |
| SA Score | 4.01 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C31H47N3O5S |
| Exact Mass | 573.3236 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |