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Jasen preklop med dedupliciranimi compounds in posameznimi samples.
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Compounds 3586 Samples 0
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674 results for Pattern / motif query
Pattern / motif 674 results DB Docking_panel_21
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Query interpretation
Pattern registry Vnos: pyrimidine Pyrimidine
ID 4 DB Docking_panel_21
2D structure

Z31243438

ID 4

Cc1nc(Sc2nnnn2C)c2c3c(sc2n1)CCC3

Formula: C12H12N6S2

MW: 304.40 | LogP: 2.16

TPSA: 69.38

Patterns:

Pyrimidine
Detail
ID 9 DB Docking_panel_21
2D structure

Z82167273

ID 9

O=C(CSc1ncnc2c1oc1ccccc12)NC1CCCCC1

Formula: C18H19N3O2S

MW: 341.44 | LogP: 3.92

TPSA: 68.02

Patterns:

Pyrimidine
Detail
ID 14 DB Docking_panel_21
2D structure

NMT-TY0945

ID 14

CCCSc1nc(=O)c(NS(=O)(=O)c2cccc(N)c2)c(N)[nH]1

Formula: C13H17N5O3S2

MW: 355.45 | LogP: 1.24

TPSA: 143.96

Patterns:

Pyrimidine
Detail
ID 16 DB Docking_panel_21
2D structure

NMT-TY0941

ID 16

CC(C)CCSc1nc(N)c(NS(=O)(=O)c2cccc(N)c2)c(O)n1

Formula: C15H21N5O3S2

MW: 383.50 | LogP: 2.29

TPSA: 144.22

Patterns:

Pyrimidine
Detail
ID 22 DB Docking_panel_21
2D structure

OHD_TB2022_45

ID 22

COc1cccc(CNC(=O)c2ccc3nc(N)nc(N)c3c2)c1

Formula: C17H17N5O2

MW: 323.36 | LogP: 1.73

TPSA: 116.15

Patterns:

Pyrimidine
Detail
ID 25 DB Docking_panel_21
2D structure

Z20229393

ID 25

Cc1sc2ncnc(SCc3nnc(-c4ccccc4)o3)c2c1C

Formula: C17H14N4OS2

MW: 354.46 | LogP: 4.65

TPSA: 64.70

Patterns:

Pyrimidine
Detail
ID 28 DB Docking_panel_21
2D structure

KB_chagas_164

ID 28

CN(Cc1cc2ccccc2s1)c1ncc2c(N)nc(N)nc2n1

Formula: C16H15N7S

MW: 337.41 | LogP: 2.44

TPSA: 106.84

Patterns:

Pyrimidine
Detail
ID 32 DB Docking_panel_21
2D structure

Z1157836593

ID 32

C[C@H](Oc1ccc(Br)cc1)c1nc2c3ccccc3[nH]c(=S)n2n1

Formula: C17H13BrN4OS

MW: 401.29 | LogP: 4.84

TPSA: 55.21

Patterns:

Pyrimidine
Detail
ID 34 DB Docking_panel_21
2D structure

Z215393742

ID 34

c1ccc2[nH]c(CSc3ncnc4c3oc3ccccc34)nc2c1

Formula: C18H12N4OS

MW: 332.39 | LogP: 4.54

TPSA: 67.60

Patterns:

Pyrimidine
Detail
ID 38 DB Docking_panel_21
2D structure

Z14342059

ID 38

O=c1cc(CSc2nnc(-c3cccs3)n2Cc2ccccc2)nc2sc3ccccc3n12

Formula: C24H17N5OS3

MW: 487.64 | LogP: 5.57

TPSA: 65.08

Patterns:

Pyrimidine
Detail
ID 40 DB Docking_panel_21
2D structure

OHD_Babesia_62

ID 40

COc1ccc(OC)c(NCc2ccc3nc(N)nc(N)c3c2Cl)c1

Formula: C17H18ClN5O2

MW: 359.82 | LogP: 3.08

TPSA: 108.31

Patterns:

Pyrimidine
Detail
ID 41 DB Docking_panel_21
2D structure

NMT-TY0940

ID 41

CCCCSc1nc(=O)c(NS(=O)(=O)c2cccc(N)c2)c(N)[nH]1

Formula: C14H19N5O3S2

MW: 369.47 | LogP: 1.63

TPSA: 143.96

Patterns:

Pyrimidine
Detail
ID 44 DB Docking_panel_21
2D structure

Z82167147

ID 44

Cc1cccc(NC(=O)CSc2ncnc3c2oc2ccccc23)c1

Formula: C19H15N3O2S

MW: 349.42 | LogP: 4.42

TPSA: 68.02

Patterns:

Pyrimidine
Detail
ID 47 DB Docking_panel_21
2D structure

Z226978722

ID 47

Cc1nc2c3ccccc3nc(SCc3cn4ccccc4n3)n2n1

Formula: C18H14N6S

MW: 346.42 | LogP: 3.53

TPSA: 60.38

Patterns:

Pyrimidine
Detail
ID 51 DB Docking_panel_21
2D structure

Z278071350

ID 51

O=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1ncc(Cc2ccc(F)c(F)c2)s1

Formula: C21H16F2N4O2S

MW: 426.45 | LogP: 3.82

TPSA: 87.74

Patterns:

Pyrimidine
Detail
ID 52 DB Docking_panel_21
2D structure

OHD_MAC_45

ID 52

Brc1cccc(/C=N/Nc2ncnc3c(Nc4cccnc4)ncnc23)c1

Formula: C18H13BrN8

MW: 421.26 | LogP: 3.77

TPSA: 100.87

Patterns:

Pyrimidine
Detail
ID 53 DB Docking_panel_21
2D structure

Z49890534

ID 53

Cc1sc2ncnc(N/N=C/c3ccccc3O)c2c1C

Formula: C15H14N4OS

MW: 298.37 | LogP: 3.46

TPSA: 70.40

Patterns:

Pyrimidine
Detail
ID 55 DB Docking_panel_21
2D structure

Z169788636

ID 55

O=C(CCc1nc(=O)c2ccccc2[nH]1)N[C@H]1CCc2ccccc21

Formula: C20H19N3O2

MW: 333.39 | LogP: 2.66

TPSA: 74.85

Patterns:

Pyrimidine
Detail
ID 75 DB Docking_panel_21
2D structure

Z82167118

ID 75

O=C(CSc1ncnc2c1oc1ccccc12)N1CCCc2ccccc21

Formula: C21H17N3O2S

MW: 375.45 | LogP: 4.45

TPSA: 59.23

Patterns:

Pyrimidine
Detail
ID 81 DB Docking_panel_21
2D structure

OHD_TB2022_20

ID 81

CCN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)c2ccccc2)cc1

Formula: C22H21N7O

MW: 399.46 | LogP: 2.84

TPSA: 123.91

Patterns:

Pyrimidine
Detail
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