FAIRMol

Library browser

Jasen preklop med dedupliciranimi compounds in posameznimi samples.
Open analysis
Compounds 5571 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

2 results for Pattern / motif query
Pattern / motif 2 results DB fairmol
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: sulfoxide Sulfoxide
ID 1852 DB fairmol
2D structure

Z1557407327

ID 1852

O=c1c(CC[S@](=O)c2ccccc2)c(O)n(-c2ccccc2)n1-c1ccccc1

Formula: C23H20N2O3S

MW: 404.49 | LogP: 3.68

TPSA: 64.23

Patterns:

Sulfoxide
Detail
ID 2351 DB fairmol
2D structure

Z1501475006

ID 2351

COc1ccc2nc([S@@](=O)Cc3[nH+]cc(C)c(OC)c3C)[nH]c2c1

Formula: C17H20N3O3S+

MW: 346.43 | LogP: 2.32

TPSA: 78.35

Patterns:

Sulfoxide
Detail