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Regex Pattern / motif 534 results

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534 results for Pattern / motif query

Cards

Pattern / motif 534 results DB Docking_panel_21

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Query interpretation

Pattern registry Vnos: alkene Alkene

Select ID 8 DB Docking_panel_21

Z56900576

ID 8

C=CC/[NH+]=c1/scc(-c2ccco2)n1/N=C\c1ccc(O)c(O)c1O

Formula: C17H16N3O4S+

MW: 358.40 | LogP: 0.98

TPSA: 105.09

Patterns:

Alkene

Detail

Select ID 11 DB Docking_panel_21

OHD_TbNat_17

ID 11

COc1cc(/C=C/C(=O)/C=C(O)\C=C\c2ccc(O)c(OC)c2)ccc1O

Formula: C21H20O6

MW: 368.39 | LogP: 3.85

TPSA: 96.22

Patterns:

Alkene

Detail

Select ID 43 DB Docking_panel_21

OHD_TbNat_135

ID 43

COc1cc2ccc(=O)oc2c(OC)c1OC[C@H]1C(C)=CC[C@H]2C(C)(C)[C@@H](O)CC[C@@]12C

Formula: C26H34O6

MW: 442.55 | LogP: 4.96

TPSA: 78.13

Patterns:

Alkene

Detail

Select ID 54 DB Docking_panel_21

Z46089428

ID 54

C[C@H](NC(=O)/C(C#N)=C\c1cccc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c1)c1ccccc1

Formula: C30H26N4O2

MW: 474.56 | LogP: 5.26

TPSA: 105.78

Patterns:

Alkene

Detail

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:

Alkene

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:

Alkene

Detail

Select ID 71 DB Docking_panel_21

MK2

ID 71

Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NCCNC(=O)/C=C/c1ccc(O)c(O)c1)O2

Formula: C25H30N2O6

MW: 454.52 | LogP: 2.76

TPSA: 128.12

Patterns:

Alkene

Detail

Select ID 72 DB Docking_panel_21

Z27116094

ID 72

CSc1cccc(N2C[C@H](C(=O)NCCN3C(=O)S/C(=C\c4cccnc4)C3=O)CC2=O)c1

Formula: C23H22N4O4S2

MW: 482.59 | LogP: 3.01

TPSA: 99.68

Patterns:

Alkene

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:

Alkene

Detail

Select ID 79 DB Docking_panel_21

ulfkktlib_1376

ID 79

O=C(NCC(=O)N1CC(=O)/C(=C\Nc2cccc3ccccc23)C1=O)OCc1ccccc1

Formula: C25H21N3O5

MW: 443.46 | LogP: 3.00

TPSA: 104.81

Patterns:

Alkene

Detail

Select ID 83 DB Docking_panel_21

Z23213151

ID 83

N#CCSc1ccccc1NC(=O)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O

Formula: C18H17N3O3S

MW: 355.42 | LogP: 2.19

TPSA: 90.27

Patterns:

Alkene

Detail

Select ID 85 DB Docking_panel_21

Z57457889

ID 85

O=C1C=Cc2ccccc2/C1=C\N/N=C(\O)c1cc(-c2ccc3ccccc3c2)n[nH]1

Formula: C25H18N4O2

MW: 406.45 | LogP: 4.68

TPSA: 90.37

Patterns:

Alkene

Detail

Select ID 89 DB Docking_panel_21

Z56789391

ID 89

O=C1C=C/C(=C(\O)N/N=C/c2sc3ccccc3c2O)C(O)=C1

Formula: C16H12N2O4S

MW: 328.35 | LogP: 2.88

TPSA: 102.15

Patterns:

Alkene

Detail

Select ID 99 DB Docking_panel_21

CKP-41

ID 99

COc1cccc2c1[n+](C/C=C/c1ccc(Cl)cc1)cn2Cc1ccc(-c2ccccc2)cc1

Formula: C30H26ClN2O+

MW: 466.00 | LogP: 7.02

TPSA: 18.04

Patterns:

Alkene

Detail

Select ID 103 DB Docking_panel_21

Z1213669189

ID 103

C=CCN1C(=O)c2[nH]nc(-c3c(C)cc(C)cc3O)c2[C@@H]1c1cccc(OCC)c1

Formula: C24H25N3O3

MW: 403.48 | LogP: 4.53

TPSA: 78.45

Patterns:

Alkene

Detail

Select ID 114 DB Docking_panel_21

Z49628521

ID 114

O=C1Nc2ccccc2/C1=N/N/C(O)=C1\C=c2ccccc2=CC1=O

Formula: C19H13N3O3

MW: 331.33 | LogP: 0.55

TPSA: 90.79

Patterns:

Alkene

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:

Alkene

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:

Alkene

Detail

Select ID 132 DB Docking_panel_21

NMT-TY0623

ID 132

Nc1ccc(S(=O)(=O)Nc2c(N)nc(SC/C=C/c3ccccc3)[nH]c2=O)cc1

Formula: C19H19N5O3S2

MW: 429.53 | LogP: 2.54

TPSA: 143.96

Patterns:

Alkene

Detail

Select ID 136 DB Docking_panel_21

Z24181579

ID 136

C=CCn1c(SCC(=O)NCc2ccc3c(c2)OCO3)nnc1[C@H]1COc2ccccc2O1

Formula: C23H22N4O5S

MW: 466.52 | LogP: 3.11

TPSA: 96.73

Patterns:

Alkene

Detail

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