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Regex Pattern / motif 17 results

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17 results for Pattern / motif query

Cards

Pattern / motif 17 results DB Docking_panel_21

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Query interpretation

Pattern registry Vnos: thiolane Thiolane

Select ID 237 DB Docking_panel_21

Z56958949

ID 237

O=C(CN1C(=O)/C(=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c2ccccc21)Nc1ccccc1

Formula: C23H19N3O5S3

MW: 513.62 | LogP: 2.43

TPSA: 103.86

Patterns:

Thiolane

Detail

Select ID 401 DB Docking_panel_21

TC228

ID 401

C[C@]12CC[C@H](O)CC1=C/C(=N/OCCCCn1cc(CNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]43)nn1)[C@H]1[C@H]3CCC(=O)[C@@]3(C)CC[C@@H]12

Formula: C36H53N7O5S

MW: 695.93 | LogP: 4.28

TPSA: 159.83

Patterns:

Thiolane

Detail

Select ID 470 DB Docking_panel_21

Z25076860

ID 470

Nc1ccc(Cl)cc1C(=O)OCC(=O)N[C@H]1CCS(=O)(=O)C1

Formula: C13H15ClN2O5S

MW: 346.79 | LogP: 0.38

TPSA: 115.56

Patterns:

Thiolane

Detail

Select ID 742 DB Docking_panel_21

Z56958950

ID 742

COc1ccc(NC(=O)CN2C(=O)/C(=C3\SC(=S)N([C@@H]4CCS(=O)(=O)C4)C3=O)c3ccccc32)cc1

Formula: C24H21N3O6S3

MW: 543.65 | LogP: 2.44

TPSA: 113.09

Patterns:

Thiolane

Detail

Select ID 806 DB Docking_panel_21

Z56841578

ID 806

O=S1(=O)CC[C@H](NC(=S)SCCOc2ccccc2)C1

Formula: C13H17NO3S3

MW: 331.48 | LogP: 1.86

TPSA: 55.40

Patterns:

Thiolane

Detail

Select ID 1637 DB Docking_panel_21

KB_HAT_129

ID 1637

O=C1CN(Cc2ccco2)[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)cc1

Formula: C17H17ClN2O4S

MW: 380.85 | LogP: 1.95

TPSA: 70.83

Patterns:

Thiolane

Detail

Select ID 1917 DB Docking_panel_21

Z15749616

ID 1917

Cc1ccc(-c2nc(SCC(=O)N(C)[C@@H]3CCS(=O)(=O)C3)[nH]c2-c2ccc(C)cc2)cc1

Formula: C24H27N3O3S2

MW: 469.63 | LogP: 4.10

TPSA: 83.13

Patterns:

Thiolane

Detail

Select ID 1981 DB Docking_panel_21

TC265

ID 1981

C[C@]12CC[C@H](O)CC1=C/C(=N/OCC(=O)NCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]3NC(=O)N[C@@H]31)[C@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@@]21O[C@@H]1CO

Formula: C39H61N5O9S

MW: 776.01 | LogP: 2.41

TPSA: 192.37

Patterns:

Thiolane

Detail

Select ID 2142 DB Docking_panel_21

Z25492290

ID 2142

Cc1ccc(-c2cn(-c3ccccc3)c(SCC(=O)N[C@H]3CCS(=O)(=O)C3)n2)cc1C

Formula: C23H25N3O3S2

MW: 455.61 | LogP: 3.55

TPSA: 81.06

Patterns:

Thiolane

Detail

Select ID 2470 DB Docking_panel_21

Z56958950

ID 2470

COc1ccc(NC(=O)CN2C(=O)/C(=C3/SC(=S)N([C@@H]4CCS(=O)(=O)C4)C3=O)c3ccccc32)cc1

Formula: C24H21N3O6S3

MW: 543.65 | LogP: 2.44

TPSA: 113.09

Patterns:

Thiolane

Detail

Select ID 2734 DB Docking_panel_21

Z15749616

ID 2734

Cc1ccc(-c2nc(SCC(=O)N(C)[C@H]3CCS(=O)(=O)C3)[nH]c2-c2ccc(C)cc2)cc1

Formula: C24H27N3O3S2

MW: 469.63 | LogP: 4.10

TPSA: 83.13

Patterns:

Thiolane

Detail

Select ID 2897 DB Docking_panel_21

Z25492290

ID 2897

Cc1ccc(-c2cn(-c3ccccc3)c(SCC(=O)N[C@@H]3CCS(=O)(=O)C3)n2)cc1C

Formula: C23H25N3O3S2

MW: 455.61 | LogP: 3.55

TPSA: 81.06

Patterns:

Thiolane

Detail

Select ID 2972 DB Docking_panel_21

Z56958949

ID 2972

O=C(CN1C(=O)/C(=C2/SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)c2ccccc21)Nc1ccccc1

Formula: C23H19N3O5S3

MW: 513.62 | LogP: 2.43

TPSA: 103.86

Patterns:

Thiolane

Detail

Select ID 3117 DB Docking_panel_21

KB_chagas_102

ID 3117

Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)/C=C/c1sc2ccccc2c1Cl

Formula: C22H24ClN3O3S2

MW: 478.04 | LogP: 4.40

TPSA: 72.27

Patterns:

Thiolane

Detail

Select ID 3270 DB Docking_panel_21

Z16382127

ID 3270

O=C(CSc1ncnc2c1cnn2-c1ccccc1)N[C@H]1CCS(=O)(=O)C1

Formula: C17H17N5O3S2

MW: 403.49 | LogP: 1.21

TPSA: 106.84

Patterns:

Thiolane

Detail

Select ID 3280 DB Docking_panel_21

TC228

ID 3280

C[C@]12CC[C@H](O)CC1=C/C(=N/OCCCCn1cc(CNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]43)nn1)[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12

Formula: C36H53N7O5S

MW: 695.93 | LogP: 4.28

TPSA: 159.83

Patterns:

Thiolane

Detail

Select ID 3402 DB Docking_panel_21

Z56958950

ID 3402

COc1ccc(NC(=O)CN2C(=O)/C(=C3\SC(=S)N([C@H]4CCS(=O)(=O)C4)C3=O)c3ccccc32)cc1

Formula: C24H21N3O6S3

MW: 543.65 | LogP: 2.44

TPSA: 113.09

Patterns:

Thiolane

Detail