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Regex Pattern / motif 129 results

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129 results for Pattern / motif query

Cards

Pattern / motif 129 results DB Docking_panel_21

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Query interpretation

Pattern registry Vnos: cyclopentane Cyclopentane

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:

Cyclopentane

Detail

Select ID 61 DB Docking_panel_21

Z28978240

ID 61

O=C(CN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2C1)Nc1n[nH]c(SCc2ccc(Cl)cc2)n1

Formula: C20H18ClN5O3S

MW: 443.92 | LogP: 2.50

TPSA: 108.05

Patterns:

Cyclopentane

Detail

Select ID 73 DB Docking_panel_21

OHD_TC2_88

ID 73

C[C@H](NCc1cn(Cc2ccccc2)nn1)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

Formula: C31H44N4O

MW: 488.72 | LogP: 5.74

TPSA: 62.97

Patterns:

Cyclopentane

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:

Cyclopentane

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:

Cyclopentane

Detail

Select ID 149 DB Docking_panel_21

NMT-TY0622

ID 149

Nc1ccc(S(=O)(=O)Nc2c(N)[nH]c(SC3CCCC3)nc2=O)cc1

Formula: C15H19N5O3S2

MW: 381.48 | LogP: 1.77

TPSA: 143.96

Patterns:

Cyclopentane

Detail

Select ID 170 DB Docking_panel_21

NMT-TY0616

ID 170

[H]/N=c1\[nH]c(SC2CCCC2)nc(O)c1NS(=O)(=O)c1ccc(NC(C)=O)cc1

Formula: C17H21N5O4S2

MW: 423.52 | LogP: 2.39

TPSA: 148.03

Patterns:

Cyclopentane

Detail

Select ID 223 DB Docking_panel_21

OHD_TB2019_4

ID 223

O=C1Nc2cc(Br)ccc2/C1=C1/Nc2ccccc2/C1=N\OCC[N@H+]1CC[N@@H+](C2CCCC2)CC1

Formula: C27H32BrN5O2+2

MW: 538.49 | LogP: 1.68

TPSA: 71.60

Patterns:

Cyclopentane

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:

Cyclopentane

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:

Cyclopentane

Detail

Select ID 367 DB Docking_panel_21

OHD_TbNat_97

ID 367

C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](OC(=O)/C=C/c6ccc(O)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12

Formula: C39H54O6

MW: 618.86 | LogP: 8.03

TPSA: 104.06

Patterns:

Cyclopentane

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:

Cyclopentane

Detail

Select ID 439 DB Docking_panel_21

OHD_Leishmania_45

ID 439

CC(=O)O[C@H]1[C@@H](O[C@H]2[C@@H]3C=CO[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@@H]4O)[C@@H]3[C@@]3(CO)O[C@@H]23)O[C@H](C)[C@@H](OC(=O)/C=C\c2ccccc2)[C@@H]1OC(=O)/C=C\c1ccccc1

Formula: C41H46O17

MW: 810.80 | LogP: 0.36

TPSA: 238.73

Patterns:

Cyclopentane

Detail

Select ID 500 DB Docking_panel_21

KB_HAT_6

ID 500

COc1ccc([C@H]2CC(c3ccccc3Cl)=NN2C(=O)CNC(=O)C2CCCC2)cc1

Formula: C24H26ClN3O3

MW: 439.94 | LogP: 4.33

TPSA: 71.00

Patterns:

Cyclopentane

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:

Cyclopentane

Detail

Select ID 543 DB Docking_panel_21

OHD_Leishmania_403

ID 543

CC1=C[C@@](O)(C[C@@H](C)[C@]2(C)CC[C@@H]3C4=CC[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)C4=CC[C@@]32C)OC1=O

Formula: C30H44O4

MW: 468.68 | LogP: 6.09

TPSA: 66.76

Patterns:

Cyclopentane

Detail

Select ID 571 DB Docking_panel_21

TC179

ID 571

C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)c1ncc(-c2ccccc2)o1

Formula: C29H35NO3

MW: 445.60 | LogP: 6.46

TPSA: 63.33

Patterns:

Cyclopentane

Detail

Select ID 681 DB Docking_panel_21

OHD_TB2019_4

ID 681

O=C1Nc2cc(Br)ccc2/C1=C1/Nc2ccccc2/C1=N\OCC[NH+]1CCN(C2CCCC2)CC1

Formula: C27H31BrN5O2+

MW: 537.48 | LogP: 3.10

TPSA: 70.40

Patterns:

Cyclopentane

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:

Cyclopentane

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:

Cyclopentane

Detail

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