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

58 results for Pattern / motif query
Pattern / motif 58 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: pyridazine Pyridazine
ID 27 DB Docking_panel_21
2D structure

Z44851564

ID 27

Cc1[nH]c2ccccc2c1/C=N/Nc1nncc2ccccc12

Formula: C18H15N5

MW: 301.35 | LogP: 3.87

TPSA: 65.96

Patterns:

Pyridazine
Detail
ID 254 DB Docking_panel_21
2D structure

Z56781211

ID 254

Oc1ccc2ccccc2c1/C=N\Nc1nnc(-c2ncc[nH]2)c2ccccc12

Formula: C22H16N6O

MW: 380.41 | LogP: 4.32

TPSA: 99.08

Patterns:

Pyridazine
Detail
ID 594 DB Docking_panel_21
2D structure

Z49719002

ID 594

Oc1ccc(/C=N/Nc2ccc(Cl)nn2)c(O)c1O

Formula: C11H9ClN4O3

MW: 280.67 | LogP: 1.69

TPSA: 110.86

Patterns:

Pyridazine
Detail
ID 619 DB Docking_panel_21
2D structure

Z19024030

ID 619

COc1ccc(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1S(=O)(=O)N1CCOCC1

Formula: C17H18Cl2N4O6S

MW: 477.33 | LogP: 1.22

TPSA: 119.83

Patterns:

Pyridazine
Detail
ID 634 DB Docking_panel_21
2D structure

KB_Leish_182

ID 634

N#Cc1cccc(CNc2ccc(-c3cnn(CC4CC4)c(=O)c3C#N)cc2)c1

Formula: C23H19N5O

MW: 381.44 | LogP: 3.68

TPSA: 94.50

Patterns:

Pyridazine
Detail
ID 750 DB Docking_panel_21
2D structure

OHD_TB2022_9

ID 750

COc1ccc(C2=NN(C3CCN(c4ccc5ncc([N+](=O)O)n5n4)CC3)C(=O)[C@@H]3CC=CC[C@H]23)cc1OCc1ccccn1

Formula: C32H33N8O5+

MW: 609.67 | LogP: 4.31

TPSA: 137.76

Patterns:

Pyridazine
Detail
ID 778 DB Docking_panel_21
2D structure

ulfkktlib_1156

ID 778

N#Cc1ccnn2c(C(=O)c3ccccc3)cnc12

Formula: C14H8N4O

MW: 248.25 | LogP: 1.83

TPSA: 71.05

Patterns:

Pyridazine
Detail
ID 782 DB Docking_panel_21
2D structure

ulfkktlib_1146

ID 782

Nc1ccc2ncc(C(=O)c3ccccc3)n2n1

Formula: C13H10N4O

MW: 238.25 | LogP: 1.54

TPSA: 73.28

Patterns:

Pyridazine
Detail
ID 791 DB Docking_panel_21
2D structure

ulfkktlib_1716

ID 791

Nc1ccc(-c2ccccc2)nn1

Formula: C10H9N3

MW: 171.20 | LogP: 1.73

TPSA: 51.80

Patterns:

Pyridazine
Detail
ID 803 DB Docking_panel_21
2D structure

ulfkktlib_3620

ID 803

[NH3+]CC[C@@H]1C=NN(c2ccc(Cl)nn2)C1=O

Formula: C9H11ClN5O+

MW: 240.67 | LogP: -0.29

TPSA: 86.09

Patterns:

Pyridazine
Detail
ID 826 DB Docking_panel_21
2D structure

OHD_TC1_122

ID 826

c1ccc2c(NCCc3c[nH]cn3)nncc2c1

Formula: C13H13N5

MW: 239.28 | LogP: 2.01

TPSA: 66.49

Patterns:

Pyridazine
Detail
ID 835 DB Docking_panel_21
2D structure

ulfkktlib_3182

ID 835

C(=N\Nc1ccc2nccn2n1)/c1ccccc1

Formula: C13H11N5

MW: 237.27 | LogP: 2.18

TPSA: 54.58

Patterns:

Pyridazine
Detail
ID 875 DB Docking_panel_21
2D structure

ulfkktlib_338

ID 875

OC[C@@H](O)[C@@H](O)[C@@H](O)c1nnc2ccc(Cl)nn12

Formula: C9H11ClN4O4

MW: 274.66 | LogP: -1.47

TPSA: 124.00

Patterns:

Pyridazine
Detail
ID 879 DB Docking_panel_21
2D structure

ulfkktlib_1314

ID 879

O=C(NCC[C@@H]1C=NN(c2ccc(Cl)nn2)C1=O)c1ccccc1

Formula: C16H14ClN5O2

MW: 343.77 | LogP: 1.90

TPSA: 87.55

Patterns:

Pyridazine
Detail
ID 882 DB Docking_panel_21
2D structure

Z49719002

ID 882

Oc1ccc(/C=N\Nc2ccc(Cl)nn2)c(O)c1O

Formula: C11H9ClN4O3

MW: 280.67 | LogP: 1.69

TPSA: 110.86

Patterns:

Pyridazine
Detail
ID 891 DB Docking_panel_21
2D structure

ulfkktlib_3501

ID 891

Clc1ccc(N/N=C/c2ccccc2)nn1

Formula: C11H9ClN4

MW: 232.67 | LogP: 2.58

TPSA: 50.17

Patterns:

Pyridazine
Detail
ID 913 DB Docking_panel_21
2D structure

ulfkktlib_1309

ID 913

CC(C)(C)OC(=O)NCC[C@@H]1C=NN(c2ccc(Cl)nn2)C1=O

Formula: C14H18ClN5O3

MW: 339.78 | LogP: 1.99

TPSA: 96.78

Patterns:

Pyridazine
Detail
ID 940 DB Docking_panel_21
2D structure

ulfkktlib_1317

ID 940

CC(C)(C)OC(=O)NCC[C@H]1C=NN(c2ccc3nccn3n2)C1=O

Formula: C16H20N6O3

MW: 344.38 | LogP: 1.59

TPSA: 101.19

Patterns:

Pyridazine
Detail
ID 959 DB Docking_panel_21
2D structure

Z56781211

ID 959

Oc1ccc2ccccc2c1/C=N/Nc1nnc(-c2ncc[nH]2)c2ccccc12

Formula: C22H16N6O

MW: 380.41 | LogP: 4.32

TPSA: 99.08

Patterns:

Pyridazine
Detail
ID 983 DB Docking_panel_21
2D structure

KB_chagas_205

ID 983

O=C(CSc1ccc(-c2ccccn2)nn1)Nc1ccc(Cl)cc1

Formula: C17H13ClN4OS

MW: 356.84 | LogP: 3.92

TPSA: 67.77

Patterns:

Pyridazine
Detail
Page 1 / 3