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

4 results for Pattern / motif query
Pattern / motif 4 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: nitroso Nitroso
ID 1634 DB fairmol
2D structure

NMT-TY0103

ID 1634

Nc1nc2n(c(=O)c1N=O)CCS2

Formula: C6H6N4O2S

MW: 198.21 | LogP: 0.33

TPSA: 90.34

Patterns:

Nitroso
Detail
ID 1902 DB fairmol
2D structure

NMT-TY0134

ID 1902

Nc1nc2n(c(=O)c1N=O)[C@@H](CO)CS2

Formula: C7H8N4O3S

MW: 228.23 | LogP: -0.14

TPSA: 110.57

Patterns:

Nitroso
Detail
ID 4008 DB fairmol
2D structure

NMT-TY0134

ID 4008

Nc1nc2n(c(=O)c1N=O)[C@H](CO)CS2

Formula: C7H8N4O3S

MW: 228.23 | LogP: -0.14

TPSA: 110.57

Patterns:

Nitroso
Detail
ID 5462 DB fairmol
2D structure

NMT-TY0811

ID 5462

Nc1nc(N(S(=O)(=O)c2ccc([N+](=O)O)cc2)S(=O)(=O)c2ccc([N+](=O)O)cc2)nc(N)c1N=O

Formula: C16H14N8O9S2+2

MW: 526.47 | LogP: 1.22

TPSA: 259.39

Patterns:

Nitroso
Detail