FAIRMol

Library browser

Jasen preklop med dedupliciranimi compounds in posameznimi samples.
Open analysis
Compounds 3586 Samples 0
Search Workspace

Chemical search

Build a query, refine the result set, and sketch a structure without leaving the page.
Clear
Threshold 0.50

Properties

Reset all

Results

6 results for Pattern / motif query
Pattern / motif 6 results DB Docking_panel_21
Selected 0
Global compound selection stays available across the browser. Save selected compounds into analysis sets A / B / C, then use union, intersection or negation in the Analysis selection workbench.
Query interpretation
Pattern registry Vnos: sulfonic_acid Sulfonic acid
ID 253 DB Docking_panel_21
2D structure

TC71

ID 253

C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OS(=O)(=O)O)CC[C@@]43C)[C@H]1CC[C@H]2C(=O)C#Cc1ccccc1

Formula: C28H34O5S

MW: 482.64 | LogP: 5.37

TPSA: 80.67

Patterns:

Sulfonic acid
Detail
ID 366 DB Docking_panel_21
2D structure

TC72

ID 366

C[C@]12CC[C@H]3[C@H](CC=C4C[C@@H](OS(=O)(=O)O)CC[C@@]43C)[C@H]1CC[C@H]2C(=O)C#CCc1ccccc1

Formula: C29H36O5S

MW: 496.67 | LogP: 5.57

TPSA: 80.67

Patterns:

Sulfonic acid
Detail
ID 696 DB Docking_panel_21
2D structure

TC72

ID 696

C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OS(=O)(=O)O)CC[C@@]43C)[C@@H]1CC[C@H]2C(=O)C#CCc1ccccc1

Formula: C29H36O5S

MW: 496.67 | LogP: 5.57

TPSA: 80.67

Patterns:

Sulfonic acid
Detail
ID 2464 DB Docking_panel_21
2D structure

TC36

ID 2464

C#C[C@H](OS(=O)(=O)O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OS(=O)(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C

Formula: C22H32O8S2

MW: 488.62 | LogP: 3.57

TPSA: 127.20

Patterns:

Sulfonic acid
Detail
ID 3142 DB Docking_panel_21
2D structure

TC72

ID 3142

C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OS(=O)(=O)O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)C#CCc1ccccc1

Formula: C29H36O5S

MW: 496.67 | LogP: 5.57

TPSA: 80.67

Patterns:

Sulfonic acid
Detail
ID 3579 DB Docking_panel_21
2D structure

TC71

ID 3579

C[C@]12CC[C@H]3[C@H](CC=C4C[C@@H](OS(=O)(=O)O)CC[C@@]43C)[C@@H]1CC[C@H]2C(=O)C#Cc1ccccc1

Formula: C28H34O5S

MW: 482.64 | LogP: 5.37

TPSA: 80.67

Patterns:

Sulfonic acid
Detail