EGF-05122 Red
CCn1nnc2ccc(C(c3ccc(Cl)cc3)n3ccnc3)cc21
0.357
Platform Score
2D Structure
C18H16ClN5 | Exact mass: 337.1094
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
48
TPSA
338
MW
0
HBD
3.9
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 | 337.80 Da |
| TPSA | 48.5 A^2 |
| HBD | 0 |
| HBA | 5 |
| SlogP | 3.94 |
| Fsp3 | 0.167 |
| Rotatable Bonds | 4 |
| Rings | 4 (4 aromatic) |
| QED | 0.566 |
| SA Score | 2.91 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C18H16ClN5 |
| Exact Mass | 337.1094 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |