EGF-06472 Red
N#CC1C(=N)N=C(N)N(C(=O)c2ccc(Cl)cc2Cl)C12CCCCC2
0.337
Platform Score
2D Structure
C17H17Cl2N5O | Exact mass: 377.081
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
106
TPSA
378
MW
2
HBD
3.6
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 | 378.30 Da |
| TPSA | 106.3 A^2 |
| HBD | 2 |
| HBA | 4 |
| SlogP | 3.58 |
| Fsp3 | 0.412 |
| Rotatable Bonds | 1 |
| Rings | 3 (1 aromatic) |
| QED | 0.780 |
| SA Score | 4.15 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C17H17Cl2N5O |
| Exact Mass | 377.081 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |