EGF-06086 Red
Cc1cccc(NC(=O)Nc2ccc(-c3csc4[nH]c(=NCCCN(C)C)[nH]c(=N)c34)cc2)c1
0.230
Platform Score
2D Structure
C25H29N7OS | Exact mass: 475.2154
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
112
TPSA
476
MW
5
HBD
4.5
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 | 475.60 Da |
| TPSA | 112.2 A^2 |
| HBD | 5 |
| HBA | 5 |
| SlogP | 4.51 |
| Fsp3 | 0.240 |
| Rotatable Bonds | 7 |
| Rings | 4 (4 aromatic) |
| QED | 0.253 |
| SA Score | 3.10 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C25H29N7OS |
| Exact Mass | 475.2154 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |