EGF-00994 Yellow
CC1(C)CC2(CCO1)CC(=O)N(CCCN1CCN(c3cccc(Cl)c3)CC1)C2=O
0.547
Platform Score
2D Structure
C23H32ClN3O3 | Exact mass: 433.2132
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
53
TPSA
434
MW
0
HBD
3.2
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 | 434.00 Da |
| TPSA | 53.1 A^2 |
| HBD | 0 |
| HBA | 5 |
| SlogP | 3.19 |
| Fsp3 | 0.652 |
| Rotatable Bonds | 5 |
| Rings | 4 (1 aromatic) |
| QED | 0.667 |
| SA Score | 3.56 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C23H32ClN3O3 |
| Exact Mass | 433.2132 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |