EGF-05111 Red
CC(C)CC1N(C(=O)OCc2ccccc2)C(c2ccccc2)c2ccc(C#N)cc2S1(=O)=O
0.260
Platform Score
2D Structure
C27H26N2O4S | Exact mass: 474.1613
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
88
TPSA
475
MW
0
HBD
5.5
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 | 474.60 Da |
| TPSA | 87.5 A^2 |
| HBD | 0 |
| HBA | 5 |
| SlogP | 5.45 |
| Fsp3 | 0.259 |
| Rotatable Bonds | 5 |
| Rings | 4 (3 aromatic) |
| QED | 0.491 |
| SA Score | 3.58 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C27H26N2O4S |
| Exact Mass | 474.1613 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |