FAIRMol Sign in

Library browser

Jasen preklop med dedupliciranimi compounds in posameznimi samples.
Open analysis
Compounds 144 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

5 results for Pattern / motif query
Pattern / motif 5 results DB demo
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: cyclopentane Cyclopentane
ID 326 DB demo
2D structure

NMT-TY0616

ID 326

CC(=O)Nc1ccc(S(=O)(=O)Nc2c(N)nc(SC3CCCC3)[nH]c2=O)cc1

Formula: C17H21N5O4S2

MW: 423.52 | LogP: 2.15

TPSA: 147.04

Patterns:

Cyclopentane
Detail
ID 524 DB demo
2D structure

NMT-TY0622

ID 524

[H]/N=c1/[nH]c(SC2CCCC2)nc(O)c1NS(=O)(=O)c1ccc(N)cc1

Formula: C15H19N5O3S2

MW: 381.48 | LogP: 2.01

TPSA: 144.95

Patterns:

Cyclopentane
Detail
ID 5343 DB demo
2D structure

TC455

ID 5343

C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]21CC=C(CF)CO1

Formula: C24H35FO2

MW: 374.54 | LogP: 5.37

TPSA: 29.46

Patterns:

Cyclopentane
Detail
ID 5377 DB demo
2D structure

TC64

ID 5377

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

Formula: C29H36O2

MW: 416.61 | LogP: 5.74

TPSA: 37.30

Patterns:

Cyclopentane
Detail
ID 5383 DB demo
2D structure

TC152

ID 5383

COc1ccc(C#CC(=O)[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)cc1

Formula: C29H36O3

MW: 432.60 | LogP: 5.56

TPSA: 46.53

Patterns:

Cyclopentane
Detail