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Regex Pattern / motif 278 results

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278 results for Pattern / motif query

Cards

Pattern / motif 278 results DB Docking_panel_21

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Query interpretation

Pattern registry Vnos: enone Michael acceptor Enone

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:

Michael acceptor Enone

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:

Michael acceptor Enone

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:

Michael acceptor Enone

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:

Michael acceptor Enone

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:

Michael acceptor Enone

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:

Michael acceptor Enone

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:

Enone

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:

Michael acceptor Enone

Detail

Select ID 137 DB Docking_panel_21

Z104500108

ID 137

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:

Michael acceptor Enone

Detail

Select ID 151 DB Docking_panel_21

Z46041679

ID 151

COc1cc(/C=C2\CCC/C(=C\c3ccc(O)c(OC)c3)C2=O)ccc1O

Formula: C22H22O5

MW: 366.41 | LogP: 4.34

TPSA: 75.99

Patterns:

Michael acceptor Enone

Detail

Select ID 206 DB Docking_panel_21

OHD_TC1_138

ID 206

O=C(/C=C/c1ccc(OCCCCCOc2cccc3cccnc23)cc1)c1ccco1

Formula: C27H25NO4

MW: 427.50 | LogP: 6.35

TPSA: 61.56

Patterns:

Michael acceptor Enone

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:

Enone

Detail

Select ID 231 DB Docking_panel_21

OSA_Lib_101

ID 231

O=C(/C=C/c1ccccc1)O[C@H]1C[C@@]2([NH+]3CCCC3)C[C@H](c3ccccc3)[C@@H]1[C@H](c1ccccc1)C2

Formula: C33H36NO2+

MW: 478.66 | LogP: 5.41

TPSA: 30.74

Patterns:

Michael acceptor Enone

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:

Enone

Detail

Select ID 314 DB Docking_panel_21

Z16284068

ID 314

CCOc1cc(/C=C2/N=C(S[C@@H](C)C(N)=O)N(c3ccc(OC(F)F)cc3)C2=O)ccc1O

Formula: C22H21F2N3O5S

MW: 477.49 | LogP: 3.74

TPSA: 114.45

Patterns:

Michael acceptor Enone

Detail

Select ID 322 DB Docking_panel_21

Z57116466

ID 322

Cc1ccc2[nH]c(=O)c(C(=O)/C=C/c3ccccc3Cl)c(-c3ccccc3)c2c1

Formula: C25H18ClNO2

MW: 399.88 | LogP: 6.05

TPSA: 49.93

Patterns:

Michael acceptor Enone

Detail

Select ID 323 DB Docking_panel_21

MK3

ID 323

Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NCC[NH2+]CCNC(=O)/C=C/c1ccc(O)c(O)c1)O2

Formula: C27H36N3O6+

MW: 498.60 | LogP: 1.32

TPSA: 144.73

Patterns:

Michael acceptor Enone

Detail

Select ID 349 DB Docking_panel_21

OSA_Lib_199

ID 349

O=C(/C=C/c1ccccc1)O[C@H]1C[C@]2([NH+]3CCCCC3)C[C@@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)C2

Formula: C34H38NO2+

MW: 492.68 | LogP: 5.80

TPSA: 30.74

Patterns:

Michael acceptor Enone

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:

Michael acceptor Enone

Detail

Select ID 370 DB Docking_panel_21

MK15

ID 370

Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NCC[NH+]1CCN(C(=O)/C=C/c3ccc(O)c(O)c3)CC1)O2

Formula: C29H38N3O6+

MW: 524.64 | LogP: 1.37

TPSA: 123.77

Patterns:

Michael acceptor Enone

Detail

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