EGF-01831 Yellow
CN(Cc1cnn(C)c1)C(=O)NCc1ccc(-n2cccn2)cc1Cl
0.545
Platform Score
2D Structure
C17H19ClN6O | Exact mass: 358.1309
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
68
TPSA
359
MW
1
HBD
2.6
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 | 358.80 Da |
| TPSA | 68.0 A^2 |
| HBD | 1 |
| HBA | 5 |
| SlogP | 2.60 |
| Fsp3 | 0.235 |
| Rotatable Bonds | 5 |
| Rings | 3 (3 aromatic) |
| QED | 0.762 |
| SA Score | 2.47 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C17H19ClN6O |
| Exact Mass | 358.1309 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |