EGF-06379 Red
CCN=c1sc(CCCO)c2nc[nH]c(=NC(CO)c3cccc(Cl)c3)n12
0.285
Platform Score
2D Structure
C18H22ClN5O2S | Exact mass: 407.1183
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
98
TPSA
408
MW
3
HBD
1.9
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 | 407.90 Da |
| TPSA | 98.3 A^2 |
| HBD | 3 |
| HBA | 7 |
| SlogP | 1.86 |
| Fsp3 | 0.389 |
| Rotatable Bonds | 7 |
| Rings | 3 (3 aromatic) |
| QED | 0.557 |
| SA Score | 4.09 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C18H22ClN5O2S |
| Exact Mass | 407.1183 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |