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Regex Pattern / motif 35 results

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35 results for Pattern / motif query

Cards

Pattern / motif 35 results DB Docking_panel_21

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Query interpretation

Pattern registry Vnos: alkyne Alkyne

Select ID 56 DB Docking_panel_21

TC64

ID 56

C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)C#CCc1ccccc1

Formula: C29H36O2

MW: 416.61 | LogP: 5.74

TPSA: 37.30

Patterns:

Alkyne

Detail

Select ID 117 DB Docking_panel_21

TC165

ID 117

COc1ccc(C#CC(=O)[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)c(C)c1

Formula: C30H38O3

MW: 446.63 | LogP: 5.86

TPSA: 46.53

Patterns:

Alkyne

Detail

Select ID 125 DB Docking_panel_21

TC154

ID 125

C#Cc1cccc(C#CC(=O)[C@H]2CC[C@@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)c1

Formula: C30H34O2

MW: 426.60 | LogP: 5.53

TPSA: 37.30

Patterns:

Alkyne

Detail

Select ID 253 DB Docking_panel_21

TC71

ID 253

C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OS(=O)(=O)O)CC[C@@]43C)[C@H]1CC[C@H]2C(=O)C#Cc1ccccc1

Formula: C28H34O5S

MW: 482.64 | LogP: 5.37

TPSA: 80.67

Patterns:

Alkyne

Detail

Select ID 366 DB Docking_panel_21

TC72

ID 366

C[C@]12CC[C@H]3[C@H](CC=C4C[C@@H](OS(=O)(=O)O)CC[C@@]43C)[C@H]1CC[C@H]2C(=O)C#CCc1ccccc1

Formula: C29H36O5S

MW: 496.67 | LogP: 5.57

TPSA: 80.67

Patterns:

Alkyne

Detail

Select ID 524 DB Docking_panel_21

TC94

ID 524

COc1ccc(C#C[C@H](O)[C@@H]2CC[C@@H]3[C@@H]4CC[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)cc1

Formula: C29H40O3

MW: 436.64 | LogP: 5.43

TPSA: 49.69

Patterns:

Alkyne

Detail

Select ID 668 DB Docking_panel_21

OHD_Leishmania_124

ID 668

C#CCN(Cc1cnc2[nH+]c(N)nc(N)c2n1)c1ccc(C(=O)N2CCC(C(=O)OC)CC2)cc1

Formula: C24H27N8O3+

MW: 475.53 | LogP: 0.67

TPSA: 154.70

Patterns:

Alkyne

Detail

Select ID 696 DB Docking_panel_21

TC72

ID 696

C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OS(=O)(=O)O)CC[C@@]43C)[C@@H]1CC[C@H]2C(=O)C#CCc1ccccc1

Formula: C29H36O5S

MW: 496.67 | LogP: 5.57

TPSA: 80.67

Patterns:

Alkyne

Detail

Select ID 890 DB Docking_panel_21

TC94

ID 890

COc1ccc(C#C[C@H](O)[C@H]2CC[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)cc1

Formula: C29H40O3

MW: 436.64 | LogP: 5.43

TPSA: 49.69

Patterns:

Alkyne

Detail

Select ID 1036 DB Docking_panel_21

Z2315576259

ID 1036

C[N@H+](C/C=C/C#CC(C)(C)C)Cc1cccc2ccccc12

Formula: C21H26N+

MW: 292.45 | LogP: 3.46

TPSA: 4.44

Patterns:

Alkyne

Detail

Select ID 1481 DB Docking_panel_21

OHD_Leishmania_124

ID 1481

C#CCN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N2CCC(C(=O)OC)CC2)cc1

Formula: C24H26N8O3

MW: 474.53 | LogP: 1.25

TPSA: 153.45

Patterns:

Alkyne

Detail

Select ID 1878 DB Docking_panel_21

TC94

ID 1878

COc1ccc(C#C[C@H](O)[C@@H]2CC[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)cc1

Formula: C29H40O3

MW: 436.64 | LogP: 5.43

TPSA: 49.69

Patterns:

Alkyne

Detail

Select ID 2416 DB Docking_panel_21

TC94

ID 2416

COc1ccc(C#C[C@H](O)[C@H]2CC[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)cc1

Formula: C29H40O3

MW: 436.64 | LogP: 5.43

TPSA: 49.69

Patterns:

Alkyne

Detail

Select ID 2419 DB Docking_panel_21

TC63

ID 2419

C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)C#Cc1ccccc1

Formula: C28H34O2

MW: 402.58 | LogP: 5.55

TPSA: 37.30

Patterns:

Alkyne

Detail

Select ID 2464 DB Docking_panel_21

TC36

ID 2464

C#C[C@H](OS(=O)(=O)O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OS(=O)(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C

Formula: C22H32O8S2

MW: 488.62 | LogP: 3.57

TPSA: 127.20

Patterns:

Alkyne

Detail

Select ID 3071 DB Docking_panel_21

TC94

ID 3071

COc1ccc(C#C[C@H](O)[C@H]2CC[C@@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)cc1

Formula: C29H40O3

MW: 436.64 | LogP: 5.43

TPSA: 49.69

Patterns:

Alkyne

Detail

Select ID 3077 DB Docking_panel_21

TC64

ID 3077

C[C@]12CC[C@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)C#CCc1ccccc1

Formula: C29H36O2

MW: 416.61 | LogP: 5.74

TPSA: 37.30

Patterns:

Alkyne

Detail

Select ID 3142 DB Docking_panel_21

TC72

ID 3142

C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OS(=O)(=O)O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)C#CCc1ccccc1

Formula: C29H36O5S

MW: 496.67 | LogP: 5.57

TPSA: 80.67

Patterns:

Alkyne

Detail

Select ID 3317 DB Docking_panel_21

TC155

ID 3317

C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)C#Cc1cccc(F)c1

Formula: C28H33FO2

MW: 420.57 | LogP: 5.69

TPSA: 37.30

Patterns:

Alkyne

Detail

Select ID 3472 DB Docking_panel_21

TC49

ID 3472

C#C[C@H](O)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C

Formula: C22H32O2

MW: 328.50 | LogP: 3.92

TPSA: 40.46

Patterns:

Alkyne

Detail

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