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Pattern / motif 50 results DB Docking_panel_21

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Query interpretation

Pattern registry Vnos: thioamide Thioamide

Select ID 121 DB Docking_panel_21

Z55328681

ID 121

[H][SH]=C1NC(=O)C(=[NH+][NH2+]c2c(C)n(C)n(-c3ccccc3)c2=O)C(=O)N1

Formula: C15H18N6O3S+2

MW: 362.42 | LogP: -3.89

TPSA: 115.71

Patterns:

Thioamide

Detail

Select ID 124 DB Docking_panel_21

Z56071437

ID 124

Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(NC(=S)NC(=O)C3CCCCC3)c2)cc1Cl

Formula: C21H23Cl2N3O3S2

MW: 500.47 | LogP: 5.50

TPSA: 87.30

Patterns:

Thioamide

Detail

Select ID 138 DB Docking_panel_21

MK178

ID 138

NC(=S)c1ccc(OCCN2CCN(c3ncnc4[nH]cnc34)CC2)cc1

Formula: C18H21N7OS

MW: 383.48 | LogP: 1.19

TPSA: 96.19

Patterns:

Thioamide

Detail

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:

Thioamide

Detail

Select ID 288 DB Docking_panel_21

Z56893343

ID 288

COc1cc(C(=O)NC(=S)N(CCc2ccccc2)CCc2ccccc2)cc(OC)c1OC

Formula: C27H30N2O4S

MW: 478.61 | LogP: 4.51

TPSA: 60.03

Patterns:

Thioamide

Detail

Select ID 339 DB Docking_panel_21

OHD_Leishmania_481

ID 339

NC(=S)N/N=C(\C=C\c1cccc(O)c1)c1cccc(NC(=O)Nc2ccc(Cl)cc2)c1

Formula: C23H20ClN5O2S

MW: 465.97 | LogP: 4.94

TPSA: 111.77

Patterns:

Thioamide

Detail

Select ID 513 DB Docking_panel_21

Z47741866

ID 513

COc1ccc(NC(=O)C2=C(C)NC(=S)N[C@H]2c2ccc(O)cc2)cc1

Formula: C19H19N3O3S

MW: 369.45 | LogP: 2.83

TPSA: 82.62

Patterns:

Thioamide

Detail

Select ID 707 DB Docking_panel_21

Z56870716

ID 707

CCOc1cc(/C=C2\NC(=S)N(c3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)ccc1O

Formula: C23H22N4O4S

MW: 450.52 | LogP: 2.85

TPSA: 88.73

Patterns:

Thioamide

Detail

Select ID 716 DB Docking_panel_21

MK168

ID 716

Cc1ccc(C(=O)Oc2ccc(C(N)=S)cc2)cc1-c1cn(C[C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)nn1

Formula: C28H30N4O2S

MW: 486.64 | LogP: 5.32

TPSA: 83.03

Patterns:

Thioamide

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:

Thioamide

Detail

Select ID 749 DB Docking_panel_21

TC268

ID 749

C[C@]12CC[C@H](O)CC1=C/C(=N/OCC(=O)NCCOCCOCCNC(=S)Nc1ccc3c(c1)C(=O)OC31c3ccc(O)cc3Oc3cc(O)ccc31)[C@@H]1[C@H]2CC[C@@]2(C)[C@H]1CC[C@@]21O[C@@H]1CO

Formula: C50H58N4O12S

MW: 939.10 | LogP: 5.54

TPSA: 222.19

Patterns:

Thioamide

Detail

Select ID 769 DB Docking_panel_21

Z45884652

ID 769

S=C(NCc1ccccc1)NC[C@@H]1COc2ccccc2O1

Formula: C17H18N2O2S

MW: 314.41 | LogP: 2.49

TPSA: 42.52

Patterns:

Thioamide

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:

Thioamide

Detail

Select ID 838 DB Docking_panel_21

Z56065053

ID 838

O=C(NC(=S)N1CCN(c2ccc(O)cc2)CC1)c1cccs1

Formula: C16H17N3O2S2

MW: 347.47 | LogP: 2.29

TPSA: 55.81

Patterns:

Thioamide

Detail

Select ID 1044 DB Docking_panel_21

OHD_TC1_179

ID 1044

C/C(=N\NC(N)=S)c1cc(Cl)ccc1Cl

Formula: C9H9Cl2N3S

MW: 262.17 | LogP: 2.55

TPSA: 50.41

Patterns:

Thioamide

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:

Thioamide

Detail

Select ID 1159 DB Docking_panel_21

OHD_DCM_34

ID 1159

S=C(NNc1ccccc1)Nc1cccc2ccccc12

Formula: C17H15N3S

MW: 293.40 | LogP: 4.15

TPSA: 36.09

Patterns:

Thioamide

Detail

Select ID 1217 DB Docking_panel_21

MK178

ID 1217

NC(=S)c1ccc(OCC[NH+]2CCN(c3ncnc4[nH]cnc34)CC2)cc1

Formula: C18H22N7OS+

MW: 384.49 | LogP: -0.23

TPSA: 97.39

Patterns:

Thioamide

Detail

Select ID 1230 DB Docking_panel_21

OHD_DCM_37

ID 1230

O=[N+](O)c1ccc(NNC(=S)NCc2cccc3ccccc23)cc1

Formula: C18H17N4O2S+

MW: 353.43 | LogP: 3.63

TPSA: 76.40

Patterns:

Thioamide

Detail

Select ID 1322 DB Docking_panel_21

Z862180660

ID 1322

NC(=S)Nc1cccc(Oc2ccccc2)c1

Formula: C13H12N2OS

MW: 244.32 | LogP: 3.13

TPSA: 47.28

Patterns:

Thioamide

Detail

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