EGF-05114 Red
CCS(=O)(=O)N1CCC(n2sc3cnc4ccc(-c5c[nH]c(=NC)cn5)nc4c32)CC1
0.294
Platform Score
2D Structure
C20H23N7O2S2 | Exact mass: 457.1355
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
109
TPSA
458
MW
1
HBD
2.5
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 | 457.60 Da |
| TPSA | 109.1 A^2 |
| HBD | 1 |
| HBA | 8 |
| SlogP | 2.55 |
| Fsp3 | 0.400 |
| Rotatable Bonds | 4 |
| Rings | 5 (4 aromatic) |
| QED | 0.507 |
| SA Score | 3.72 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C20H23N7O2S2 |
| Exact Mass | 457.1355 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |