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Regex Pattern / motif 34 results

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34 results for Pattern / motif query

Cards

Pattern / motif 34 results DB fairmol

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Query interpretation

Pattern registry Vnos: thiolane Thiolane

Select ID 32 DB fairmol

KB_chagas_102

ID 32

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 827 DB fairmol

Z56958949

ID 827

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 828 DB fairmol

Z56783837

ID 828

CN(C1=C(/N=C(\O)c2ccccc2)C(=O)c2ccccc2C1=O)[C@H]1CCS(=O)(=O)C1

Formula: C22H20N2O5S

MW: 424.48 | LogP: 2.40

TPSA: 104.11

Patterns:

Thiolane

Detail

Select ID 1010 DB fairmol

TC228

ID 1010

C[C@]12CC[C@H](O)CC1=C/C(=N/OCCCCn1cc(CNC(=O)CCCC[C@@H]3SC[C@H]4NC(=O)N[C@@H]34)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 1121 DB fairmol

Z16382399

ID 1121

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

Formula: C19H21N5O3S2

MW: 431.54 | LogP: 1.94

TPSA: 98.05

Patterns:

Thiolane

Detail

Select ID 1124 DB fairmol

KB_chagas_102

ID 1124

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 1270 DB fairmol

TC228

ID 1270

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 1627 DB fairmol

Z16382127

ID 1627

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 2091 DB fairmol

Z15749616

ID 2091

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 2225 DB fairmol

KB_chagas_102

ID 2225

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 2359 DB fairmol

Z25076860

ID 2359

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 2368 DB fairmol

Z19768756

ID 2368

O=C(COc1cccc2ccccc12)N[C@H]1CCS(=O)(=O)C1

Formula: C16H17NO4S

MW: 319.38 | LogP: 1.52

TPSA: 72.47

Patterns:

Thiolane

Detail

Select ID 2436 DB fairmol

Z16382127

ID 2436

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 2890 DB fairmol

Z25076860

ID 2890

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 2908 DB fairmol

Z19768756

ID 2908

O=C(COc1cccc2ccccc12)N[C@@H]1CCS(=O)(=O)C1

Formula: C16H17NO4S

MW: 319.38 | LogP: 1.52

TPSA: 72.47

Patterns:

Thiolane

Detail

Select ID 3020 DB fairmol

KB_HAT_129

ID 3020

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 3035 DB fairmol

Z25492290

ID 3035

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 3210 DB fairmol

Z56958950

ID 3210

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 3319 DB fairmol

TC265

ID 3319

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 3328 DB fairmol

Z56958949

ID 3328

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

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