EGF-06428 Red
CC(C)Oc1ccc(Oc2ncc(C#CCc3ccccc3)s2)cc1
0.350
Platform Score
2D Structure
C21H19NO2S | Exact mass: 349.1136
Key Metrics
N/A
Vina (kcal/mol)
#-
Docking Rank
0
Hinge Binder
31
TPSA
350
MW
0
HBD
5.3
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 | 349.50 Da |
| TPSA | 31.4 A^2 |
| HBD | 0 |
| HBA | 4 |
| SlogP | 5.32 |
| Fsp3 | 0.190 |
| Rotatable Bonds | 5 |
| Rings | 3 (3 aromatic) |
| QED | 0.584 |
| SA Score | 2.47 (1=easy, 10=hard) |
| CNS MPO | - / 4.0 |
| Formula | C21H19NO2S |
| Exact Mass | 349.1136 |
Classification
| Scaffold (Murcko) | - |
| Source Versions | - |
| Best Source Score | - |
| Best Source Rank | #- |
| Hinge Binder | Not present |
| InChIKey | - |
| Filter Pass | Yes |