EGF-04838 Red
COc1cc(N=c2c(C#N)c[nH]c3ccc(C#Cc4cnn(C)c4N)cc23)c(Cl)cc1Cl
0.271
Platform Score
2D Structure
C23H16Cl2N6O | Exact mass: 462.0763
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
105
TPSA
463
MW
2
HBD
4.3
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 | 463.30 Da |
| TPSA | 105.0 A^2 |
| HBD | 2 |
| HBA | 6 |
| SlogP | 4.30 |
| Fsp3 | 0.087 |
| Rotatable Bonds | 2 |
| Rings | 4 (4 aromatic) |
| QED | 0.433 |
| SA Score | 3.32 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C23H16Cl2N6O |
| Exact Mass | 462.0763 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |