EGF-00805 Yellow
c1ccc2sc(N3CCN(CCCSc4nc[nH]n4)CC3)nc2c1
0.544
Platform Score
2D Structure
C16H20N6S2 | Exact mass: 360.1191
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
61
TPSA
360
MW
1
HBD
2.7
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 | 360.50 Da |
| TPSA | 60.9 A^2 |
| HBD | 1 |
| HBA | 7 |
| SlogP | 2.72 |
| Fsp3 | 0.438 |
| Rotatable Bonds | 6 |
| Rings | 4 (3 aromatic) |
| QED | 0.539 |
| SA Score | 2.76 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C16H20N6S2 |
| Exact Mass | 360.1191 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |