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2824 results for Pattern / motif query
Pattern / motif 2824 results DB Docking_panel_21
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Query interpretation
Pattern registry Vnos: hba_oxygen H-bond acceptor O
ID 1 DB Docking_panel_21
2D structure

Z53787229

ID 1

Cc1[nH]c2ccccc2c1C(=O)CSc1nc2ccccc2[nH]1

Formula: C18H15N3OS

MW: 321.41 | LogP: 4.33

TPSA: 61.54

Patterns:

H-bond acceptor O
Detail
ID 3 DB Docking_panel_21
2D structure

MK151

ID 3

Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(c1cn(CCc3ccc(O)c(O)c3)nn1)O2

Formula: C23H27N3O4

MW: 409.49 | LogP: 3.80

TPSA: 100.63

Patterns:

H-bond acceptor O
Detail
ID 5 DB Docking_panel_21
2D structure

OHD_TB2020_34

ID 5

CCn1c(Cc2ccc(OC)cc2Cl)cn(Cc2nc3nc(Cl)ccc3[nH]2)c1=O

Formula: C20H19Cl2N5O2

MW: 432.31 | LogP: 3.90

TPSA: 77.73

Patterns:

H-bond acceptor O
Detail
ID 8 DB Docking_panel_21
2D structure

Z56900576

ID 8

C=CC/[NH+]=c1/scc(-c2ccco2)n1/N=C\c1ccc(O)c(O)c1O

Formula: C17H16N3O4S+

MW: 358.40 | LogP: 0.98

TPSA: 105.09

Patterns:

H-bond acceptor O
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:

H-bond acceptor O
Detail
ID 10 DB Docking_panel_21
2D structure

OHD_ACDS_37

ID 10

Brc1ccc2c(C(CNCc3ccco3)c3c[nH]c4cc(Br)ccc34)c[nH]c2c1

Formula: C23H19Br2N3O

MW: 513.23 | LogP: 6.69

TPSA: 56.75

Patterns:

H-bond acceptor O
Detail
ID 11 DB Docking_panel_21
2D structure

OHD_TbNat_17

ID 11

COc1cc(/C=C/C(=O)/C=C(O)\C=C\c2ccc(O)c(OC)c2)ccc1O

Formula: C21H20O6

MW: 368.39 | LogP: 3.85

TPSA: 96.22

Patterns:

H-bond acceptor O
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:

H-bond acceptor O
Detail
ID 15 DB Docking_panel_21
2D structure

KB_chagas_183

ID 15

CC(C)c1cc(C(=O)N2CCC[C@@H](c3cc4[nH+]cccc4[nH]3)C2)on1

Formula: C19H23N4O2+

MW: 339.42 | LogP: 3.11

TPSA: 76.27

Patterns:

H-bond acceptor O
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:

H-bond acceptor O
Detail
ID 17 DB Docking_panel_21
2D structure

OHD_TB2020_31

ID 17

O=c1n(Cc2nc3nc(Cl)ccc3[nH]2)cc(Cc2ccc(Cl)cc2Cl)n1CC(F)F

Formula: C19H14Cl3F2N5O

MW: 472.71 | LogP: 4.79

TPSA: 68.50

Patterns:

H-bond acceptor O
Detail
ID 18 DB Docking_panel_21
2D structure

ulfkktlib_459

ID 18

CC(C)(C)OC(=O)N1C[C@@H](C(=O)NN)C(=O)C1(Cc1ccccc1)Cc1ccccc1

Formula: C24H29N3O4

MW: 423.51 | LogP: 2.64

TPSA: 101.73

Patterns:

H-bond acceptor O
Detail
ID 19 DB Docking_panel_21
2D structure

Z56935963

ID 19

COCC/[NH+]=c1\scc(-c2cccs2)n1/N=C\c1ccc(O)c(O)c1O

Formula: C17H18N3O4S2+

MW: 392.48 | LogP: 0.90

TPSA: 101.18

Patterns:

H-bond acceptor O
Detail
ID 20 DB Docking_panel_21
2D structure

KB_chagas_174

ID 20

Cc1[nH]c2ccccc2c(=O)c1Cc1c(C)[nH]c2ccccc2c1=O

Formula: C21H18N2O2

MW: 330.39 | LogP: 3.58

TPSA: 65.72

Patterns:

H-bond acceptor O
Detail
ID 21 DB Docking_panel_21
2D structure

Z49724748

ID 21

Cc1cc(SCC(=O)N/N=C/c2ccc(O)c(O)c2O)c(C)cc1Br

Formula: C17H17BrN2O4S

MW: 425.30 | LogP: 3.43

TPSA: 102.15

Patterns:

H-bond acceptor O
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:

H-bond acceptor O
Detail
ID 23 DB Docking_panel_21
2D structure

MK160

ID 23

Cc1c(C)c2c(c(C)c1O)CC[C@](C)(c1nc(CCc3ccc(O)c(O)c3)no1)O2

Formula: C23H26N2O5

MW: 410.47 | LogP: 4.14

TPSA: 108.84

Patterns:

H-bond acceptor O
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:

H-bond acceptor O
Detail
ID 26 DB Docking_panel_21
2D structure

Z56784490

ID 26

O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C/c1ccc(Cl)cc1)c1cccs1

Formula: C23H19ClN4O2S

MW: 450.95 | LogP: 4.37

TPSA: 86.35

Patterns:

H-bond acceptor O
Detail
ID 29 DB Docking_panel_21
2D structure

MK214

ID 29

Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(c1cn(CCc3cc(O)cc(O)c3)nn1)O2

Formula: C23H27N3O4

MW: 409.49 | LogP: 3.80

TPSA: 100.63

Patterns:

H-bond acceptor O
Detail
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