EGF-06260 Red
CC[SH](C)(=NC1CCCC1)n1cc(-c2cc[nH]c(=NC)n2)c(-c2cccnc2OC)n1
0.311
Platform Score
2D Structure
C22H31N7OS | Exact mass: 441.2311
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
93
TPSA
442
MW
2
HBD
3.3
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 | 441.60 Da |
| TPSA | 93.3 A^2 |
| HBD | 2 |
| HBA | 7 |
| SlogP | 3.30 |
| Fsp3 | 0.455 |
| Rotatable Bonds | 6 |
| Rings | 4 (3 aromatic) |
| QED | 0.574 |
| SA Score | 4.20 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C22H31N7OS |
| Exact Mass | 441.2311 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |