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Jasen preklop med dedupliciranimi compounds in posameznimi samples.
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20 results for Pattern / motif query
Pattern / motif 20 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: azo Azo
ID 1451 DB fairmol
2D structure

Z1521554012

ID 1451

O=C(O)c1cc(/N=N\c2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O

Formula: C18H14N4O5S

MW: 398.40 | LogP: 3.70

TPSA: 141.31

Patterns:

Azo
Detail
ID 2064 DB fairmol
2D structure

ulfkktlib_3015

ID 2064

C[C@@H](O)N(N)c1nn2c(-c3ccccc3)nnc2c2c1N=NC2(C)C

Formula: C16H18N8O

MW: 338.38 | LogP: 2.14

TPSA: 117.29

Patterns:

Azo
Detail
ID 2090 DB fairmol
2D structure

ulfkktlib_3194

ID 2090

CC1(C)N=Nc2c(N/C=N/O)cn3ncnc3c21

Formula: C10H11N7O

MW: 245.25 | LogP: 1.89

TPSA: 99.53

Patterns:

Azo
Detail
ID 2135 DB fairmol
2D structure

ulfkktlib_3008

ID 2135

CC1(C)N=Nc2c(/N=C/NO)nn3cnnc3c21

Formula: C9H10N8O

MW: 246.23 | LogP: 1.10

TPSA: 112.42

Patterns:

Azo
Detail
ID 2924 DB fairmol
2D structure

OHD_Leishmania_259

ID 2924

COc1cc(/N=N/CC(=O)c2ccc(O)cc2)ccc1O

Formula: C15H14N2O4

MW: 286.29 | LogP: 3.07

TPSA: 91.48

Patterns:

Azo
Detail
ID 3341 DB fairmol
2D structure

Z56174083

ID 3341

COc1ccccc1/N=N\c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1

Formula: C22H18N4O

MW: 354.41 | LogP: 6.17

TPSA: 62.63

Patterns:

Azo
Detail
ID 3344 DB fairmol
2D structure

Z18988083

ID 3344

CN(C)c1ccc(/N=N\c2ccccc2C(=O)OCC(=O)N2CCCC2)cc1

Formula: C21H24N4O3

MW: 380.45 | LogP: 3.95

TPSA: 74.57

Patterns:

Azo
Detail
ID 3415 DB fairmol
2D structure

NMT-TY0527

ID 3415

Nc1ccc(/N=N/c2ccc(S(N)(=O)=O)cc2)cc1

Formula: C12H12N4O2S

MW: 276.32 | LogP: 2.33

TPSA: 110.90

Patterns:

Azo
Detail
ID 3417 DB fairmol
2D structure

ulfkktlib_2500

ID 3417

COc1ccc(/N=N/c2c(O)ccc3ccccc23)cc1

Formula: C17H14N2O2

MW: 278.31 | LogP: 4.97

TPSA: 54.18

Patterns:

Azo
Detail
ID 3427 DB fairmol
2D structure

Z56857031

ID 3427

CN(C)c1ccc(/N=N/c2ccc(S(N)(=O)=O)cc2)cc1

Formula: C14H16N4O2S

MW: 304.38 | LogP: 2.82

TPSA: 88.12

Patterns:

Azo
Detail
ID 3795 DB fairmol
2D structure

Z1521554012

ID 3795

O=C(O)c1cc(/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O

Formula: C18H14N4O5S

MW: 398.40 | LogP: 3.70

TPSA: 141.31

Patterns:

Azo
Detail
ID 4220 DB fairmol
2D structure

Z56761134

ID 4220

Oc1ccc(/N=N/c2ccc3c(c2)OCCO3)c2cccnc12

Formula: C17H13N3O3

MW: 307.31 | LogP: 4.13

TPSA: 76.30

Patterns:

Azo
Detail
ID 4714 DB fairmol
2D structure

ulfkktlib_3002

ID 4714

CC1(C)N=N[C@H]2C(N/N=C/c3ccccc3)=[NH+]n3c(-c4ccccc4)nnc3[C@@H]21

Formula: C21H21N8+

MW: 385.46 | LogP: 1.52

TPSA: 93.79

Patterns:

Azo
Detail
ID 5053 DB fairmol
2D structure

Z56174083

ID 5053

COc1ccccc1/N=N/c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1

Formula: C22H18N4O

MW: 354.41 | LogP: 6.17

TPSA: 62.63

Patterns:

Azo
Detail
ID 5063 DB fairmol
2D structure

ulfkktlib_2998

ID 5063

CC(C)NC1=[NH+]n2c(-c3ccccc3)nnc2[C@@H]2[C@H]1N=NC2(C)C

Formula: C17H22N7+

MW: 324.41 | LogP: 0.90

TPSA: 81.43

Patterns:

Azo
Detail
ID 5071 DB fairmol
2D structure

ulfkktlib_2994

ID 5071

CC1(C)N=NC2=C(N/C=C/c3ccccc3)NN3C(c4ccccc4)=NSC3=C21

Formula: C22H20N6S

MW: 400.51 | LogP: 4.80

TPSA: 64.38

Patterns:

Azo
Detail
ID 5160 DB fairmol
2D structure

ulfkktlib_2997

ID 5160

CC1(C)N=Nc2c1c1nnc(-c3ccccc3)n1n1cnnc21

Formula: C15H12N8

MW: 304.32 | LogP: 2.77

TPSA: 85.10

Patterns:

Azo
Detail
ID 5417 DB fairmol
2D structure

Z56857031

ID 5417

CN(C)c1ccc(/N=N\c2ccc(S(N)(=O)=O)cc2)cc1

Formula: C14H16N4O2S

MW: 304.38 | LogP: 2.82

TPSA: 88.12

Patterns:

Azo
Detail
ID 5434 DB fairmol
2D structure

ulfkktlib_2975

ID 5434

C[C@@]1(c2ccccc2)N=Nc2c(Cl)nn3nnnc3c21

Formula: C12H8ClN7

MW: 285.70 | LogP: 2.53

TPSA: 80.69

Patterns:

Azo
Detail
ID 5568 DB fairmol
2D structure

Z56773008

ID 5568

Oc1ccc(/N=N\c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1

Formula: C21H16N4O

MW: 340.39 | LogP: 5.86

TPSA: 73.63

Patterns:

Azo
Detail