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Regex Pattern / motif 77 results

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77 results for Pattern / motif query

Cards

Pattern / motif 77 results DB Docking_panel_21

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Query interpretation

Pattern registry Vnos: imide Imide

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:

Imide

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:

Imide

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:

Imide

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:

Imide

Detail

Select ID 275 DB Docking_panel_21

Z25716555

ID 275

C[C@H]1CC[C@]2(CC1)NC(=O)N(CC(=O)Nc1sc3c(c1C(N)=O)CCC3)C2=O

Formula: C19H24N4O4S

MW: 404.49 | LogP: 1.77

TPSA: 121.60

Patterns:

Imide

Detail

Select ID 378 DB Docking_panel_21

Z31287542

ID 378

O=C(NN/C=C1/C(=O)N(c2ccccc2Cl)C(=O)c2ccccc21)[C@H]1COc2ccccc2O1

Formula: C25H18ClN3O5

MW: 475.89 | LogP: 3.33

TPSA: 96.97

Patterns:

Imide

Detail

Select ID 379 DB Docking_panel_21

OHD_Leishmania_314

ID 379

O=C1c2cccc3cccc(c23)C(=O)N1CCCCC[NH+]1CCN(c2cccc(Cl)c2)CC1

Formula: C27H29ClN3O2+

MW: 463.00 | LogP: 3.66

TPSA: 45.06

Patterns:

Imide

Detail

Select ID 405 DB Docking_panel_21

Z31294274

ID 405

Cc1occc1C(=O)NN/C=C1/C(=O)N(c2ccccc2Cl)C(=O)c2ccccc21

Formula: C22H16ClN3O4

MW: 421.84 | LogP: 3.70

TPSA: 91.65

Patterns:

Imide

Detail

Select ID 430 DB Docking_panel_21

OHD_ACDS_49

ID 430

O=C1c2cccc3cccc(c23)C(=O)N1CCC[NH2+]CCCC[NH2+]CCCN1C(=O)c2cccc3cccc(c23)C1=O

Formula: C34H36N4O4+2

MW: 564.69 | LogP: 2.57

TPSA: 107.98

Patterns:

Imide

Detail

Select ID 435 DB Docking_panel_21

Z31287535

ID 435

CCOc1ccc(N2C(=O)/C(=C/NNC(=O)[C@H]3COc4ccccc4O3)c3ccccc3C2=O)cc1

Formula: C27H23N3O6

MW: 485.50 | LogP: 3.07

TPSA: 106.20

Patterns:

Imide

Detail

Select ID 445 DB Docking_panel_21

OHD_DCM_49

ID 445

O=C1c2cccc3c(Cl)ccc(c23)C(=O)N1c1ccc2c(c1)OCCOCCOCCOCCO2

Formula: C26H24ClNO7

MW: 497.93 | LogP: 4.11

TPSA: 83.53

Patterns:

Imide

Detail

Select ID 486 DB Docking_panel_21

Z26394837

ID 486

O=C(CN1C(=O)NC2(CCCCC2)C1=O)NCCc1c[nH]c2ccccc12

Formula: C20H24N4O3

MW: 368.44 | LogP: 2.08

TPSA: 94.30

Patterns:

Imide

Detail

Select ID 575 DB Docking_panel_21

Z19503272

ID 575

CCOc1ccccc1-n1nnnc1SCC(=O)NC(=O)NCc1ccco1

Formula: C17H18N6O4S

MW: 402.44 | LogP: 1.77

TPSA: 124.17

Patterns:

Imide

Detail

Select ID 613 DB Docking_panel_21

OHD_Leishmania_97

ID 613

CC[C@]1(c2ccc(N(Cc3ccccc3Cl)Cc3ccccc3Cl)cc2)CCC(=O)NC1=O

Formula: C27H26Cl2N2O2

MW: 481.42 | LogP: 6.28

TPSA: 49.41

Patterns:

Imide

Detail

Select ID 629 DB Docking_panel_21

Z27116094

ID 629

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:

Imide

Detail

Select ID 658 DB Docking_panel_21

Z14242918

ID 658

C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NC(=O)Nc1ccc3c(c1)OCCO3)C2=O

Formula: C20H24N4O6

MW: 416.43 | LogP: 1.61

TPSA: 126.07

Patterns:

Imide

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:

Imide

Detail

Select ID 745 DB Docking_panel_21

Z31287542

ID 745

O=C(NN/C=C1\C(=O)N(c2ccccc2Cl)C(=O)c2ccccc21)[C@H]1COc2ccccc2O1

Formula: C25H18ClN3O5

MW: 475.89 | LogP: 3.33

TPSA: 96.97

Patterns:

Imide

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:

Imide

Detail

Select ID 851 DB Docking_panel_21

Z55329110

ID 851

O=C1NC(=O)C(=NNc2ccc3c(c2)OCCO3)C(=O)N1

Formula: C12H10N4O5

MW: 290.23 | LogP: -0.41

TPSA: 118.12

Patterns:

Imide

Detail

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