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Compounds 3586 Samples 0

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Regex Pattern / motif 12 results

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12 results for Pattern / motif query

Cards

Pattern / motif 12 results DB Docking_panel_21

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Query interpretation

Pattern registry Vnos: dithiocarbamate Dithiocarbamate

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:

Dithiocarbamate

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:

Dithiocarbamate

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:

Dithiocarbamate

Detail

Select ID 1100 DB Docking_panel_21

Z56838410

ID 1100

O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccc(O)cc1

Formula: C18H16N2O3S3

MW: 404.54 | LogP: 4.07

TPSA: 69.64

Patterns:

Dithiocarbamate

Detail

Select ID 2178 DB Docking_panel_21

ulfkktlib_902

ID 2178

O=C(CNC(=O)c1ccccc1)N/C=C1\SC(=S)N(c2ccccc2)C1=O

Formula: C19H15N3O3S2

MW: 397.48 | LogP: 2.44

TPSA: 78.51

Patterns:

Dithiocarbamate

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:

Dithiocarbamate

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:

Dithiocarbamate

Detail

Select ID 3271 DB Docking_panel_21

Z44296742

ID 3271

COc1cc(/C=C2\SC(=S)N(/N=C(/C)O)C2=O)ccc1OC(=O)c1ccco1

Formula: C18H14N2O6S2

MW: 418.45 | LogP: 3.60

TPSA: 101.57

Patterns:

Dithiocarbamate

Detail

Select ID 3333 DB Docking_panel_21

Z44355105

ID 3333

COc1cc(/C=C2\SC(=S)N(c3cccnc3)C2=O)ccc1O

Formula: C16H12N2O3S2

MW: 344.42 | LogP: 3.20

TPSA: 62.66

Patterns:

Dithiocarbamate

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:

Dithiocarbamate

Detail

Select ID 3505 DB Docking_panel_21

Z56838410

ID 3505

O=C(CCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccc(O)cc1

Formula: C18H16N2O3S3

MW: 404.54 | LogP: 4.07

TPSA: 69.64

Patterns:

Dithiocarbamate

Detail

Select ID 3567 DB Docking_panel_21

Z56780663

ID 3567

COc1cc(/C=C2/SC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)ccc1O

Formula: C22H19N3O4S2

MW: 453.55 | LogP: 3.60

TPSA: 76.70

Patterns:

Dithiocarbamate

Detail