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Regex Pattern / motif 63 results

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63 results for Pattern / motif query

Cards

Pattern / motif 63 results DB Docking_panel_21

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Query interpretation

Pattern registry Vnos: enol_ether Enol ether

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:

Enol ether

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:

Enol ether

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:

Enol ether

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:

Enol ether

Detail

Select ID 341 DB Docking_panel_21

ulfkktlib_3721

ID 341

C[N+](C)=CC1=C(O)C(/C=[NH+]/CC/N=C/[C@H]2C(O)=C(C=[N+](C)C)c3ccccc32)c2ccccc21

Formula: C28H33N4O2+3

MW: 457.60 | LogP: 2.03

TPSA: 72.81

Patterns:

Enol ether

Detail

Select ID 371 DB Docking_panel_21

OHD_TC1_12

ID 371

CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2ccncc2)C2=C(O)C[C@@H](c3ccc(Br)cc3)C=C2N1

Formula: C30H27BrN2O3

MW: 543.46 | LogP: 6.47

TPSA: 71.45

Patterns:

Enol ether

Detail

Select ID 386 DB Docking_panel_21

OHD_TbNat_105

ID 386

CC1(C)C=CC2=C(O1)C(=O)c1c(O)ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1C2=O

Formula: C21H22O10

MW: 434.40 | LogP: -0.43

TPSA: 162.98

Patterns:

Enol ether

Detail

Select ID 433 DB Docking_panel_21

Z728800606

ID 433

CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@@H]3[C@H](O)[C@@H]12

Formula: C22H24N2O9

MW: 460.44 | LogP: -1.24

TPSA: 201.85

Patterns:

Enol ether

Detail

Select ID 436 DB Docking_panel_21

KB_chagas_113

ID 436

CC(C)N(C(=O)CN1C(=O)C(N)=C(O)N(c2ccccc2)c2ccccc21)c1ccccc1

Formula: C26H26N4O3

MW: 442.52 | LogP: 4.30

TPSA: 90.11

Patterns:

Enol ether

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:

Enol ether

Detail

Select ID 515 DB Docking_panel_21

Z104500108

ID 515

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:

Enol ether

Detail

Select ID 640 DB Docking_panel_21

ulfkktlib_3721

ID 640

CN(C)/C=C1\C(=O)[C@@H](/C=N/CC/[NH+]=C\C2C(O)=C(C=[N+](C)C)c3ccccc32)c2ccccc21

Formula: C28H32N4O2+2

MW: 456.59 | LogP: 1.89

TPSA: 69.88

Patterns:

Enol ether

Detail

Select ID 711 DB Docking_panel_21

ulfkktlib_2631

ID 711

CC(C)(C)OC(=O)NCC(=O)N1CC(OCc2ccccc2)=C([C@H](C[N+](=O)O)c2cccc(Br)c2)C1=O

Formula: C26H29BrN3O7+

MW: 575.44 | LogP: 4.07

TPSA: 125.25

Patterns:

Enol ether

Detail

Select ID 714 DB Docking_panel_21

OHD_TC1_12

ID 714

CC1=C(C(=O)OCCc2ccccc2)[C@H](c2ccncc2)C2=C(O)C[C@H](c3ccc(Br)cc3)C=C2N1

Formula: C30H27BrN2O3

MW: 543.46 | LogP: 6.47

TPSA: 71.45

Patterns:

Enol ether

Detail

Select ID 747 DB Docking_panel_21

ulfkktlib_2641

ID 747

O=C(NCC(=O)N1CC(OCc2ccccc2)=C([C@H](C[N+](=O)O)c2ccccc2Cl)C1=O)OCc1ccccc1

Formula: C29H27ClN3O7+

MW: 565.00 | LogP: 4.36

TPSA: 125.25

Patterns:

Enol ether

Detail

Select ID 753 DB Docking_panel_21

OHD_Leishmania_45

ID 753

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:

Enol ether

Detail

Select ID 895 DB Docking_panel_21

Z49630608

ID 895

CC(C)c1ccc(/C=N/N/C(O)=C2/C=CC=CC2=O)cc1

Formula: C17H18N2O2

MW: 282.34 | LogP: 3.20

TPSA: 61.69

Patterns:

Enol ether

Detail

Select ID 918 DB Docking_panel_21

Z49630783

ID 918

Cc1c(/C=N/N/C(O)=C2/C=CC=CC2=O)c2ccccn2c1C(=O)c1ccc(F)cc1

Formula: C24H18FN3O3

MW: 415.42 | LogP: 4.01

TPSA: 83.17

Patterns:

Enol ether

Detail

Select ID 1013 DB Docking_panel_21

Z49628846

ID 1013

C/C(=N\N/C(O)=C1\C=c2ccccc2=CC1=O)c1cc2ccccc2o1

Formula: C21H16N2O3

MW: 344.37 | LogP: 2.36

TPSA: 74.83

Patterns:

Enol ether

Detail

Select ID 1023 DB Docking_panel_21

ulfkktlib_1127

ID 1023

Cc1cc(Cl)nc(/N=C\C=C(/O)N[C@H](Cc2ccccc2)C(=O)O)n1

Formula: C17H17ClN4O3

MW: 360.80 | LogP: 2.83

TPSA: 107.70

Patterns:

Enol ether

Detail

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