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Regex Pattern / motif 45 results

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45 results for Pattern / motif query

Cards

Pattern / motif 45 results DB Docking_panel_21

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Query interpretation

Pattern registry Vnos: sulfone Sulfone

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:

Sulfone

Detail

Select ID 258 DB Docking_panel_21

KB_HAT_86

ID 258

CC(C)S(=O)(=O)c1ccc(-c2c[nH+]c(N)c3cc(-c4ccnc(N)n4)ccc23)cc1

Formula: C22H22N5O2S+

MW: 420.52 | LogP: 3.12

TPSA: 126.10

Patterns:

Sulfone

Detail

Select ID 415 DB Docking_panel_21

OHD_TB2021_74

ID 415

Cc1ccc(C[C@H](NC(=O)c2ccc3c(c2)OCCO3)C(=O)N[C@@H](/C=C(\F)S(=O)(=O)c2ccccc2)CCc2ccccc2)cc1

Formula: C36H35FN2O6S

MW: 642.75 | LogP: 5.51

TPSA: 110.80

Patterns:

Sulfone

Detail

Select ID 470 DB Docking_panel_21

Z25076860

ID 470

Nc1ccc(Cl)cc1C(=O)OCC(=O)N[C@H]1CCS(=O)(=O)C1

Formula: C13H15ClN2O5S

MW: 346.79 | LogP: 0.38

TPSA: 115.56

Patterns:

Sulfone

Detail

Select ID 622 DB Docking_panel_21

KB_Leish_114

ID 622

COc1ccc(Nc2nccc(N(C)c3[nH]nc4c(F)cccc34)n2)cc1S(C)(=O)=O

Formula: C20H19FN6O3S

MW: 442.48 | LogP: 3.42

TPSA: 113.10

Patterns:

Sulfone

Detail

Select ID 715 DB Docking_panel_21

OHD_TB2021_74

ID 715

Cc1ccc(C[C@@H](NC(=O)c2ccc3c(c2)OCCO3)C(=O)N[C@H](/C=C(\F)S(=O)(=O)c2ccccc2)CCc2ccccc2)cc1

Formula: C36H35FN2O6S

MW: 642.75 | LogP: 5.51

TPSA: 110.80

Patterns:

Sulfone

Detail

Select ID 742 DB Docking_panel_21

Z56958950

ID 742

COc1ccc(NC(=O)CN2C(=O)/C(=C3\SC(=S)N([C@@H]4CCS(=O)(=O)C4)C3=O)c3ccccc32)cc1

Formula: C24H21N3O6S3

MW: 543.65 | LogP: 2.44

TPSA: 113.09

Patterns:

Sulfone

Detail

Select ID 806 DB Docking_panel_21

Z56841578

ID 806

O=S1(=O)CC[C@H](NC(=S)SCCOc2ccccc2)C1

Formula: C13H17NO3S3

MW: 331.48 | LogP: 1.86

TPSA: 55.40

Patterns:

Sulfone

Detail

Select ID 1153 DB Docking_panel_21

Z57820547

ID 1153

Cc1ccc(S(=O)(=O)c2nc(-c3cccs3)oc2SCC(N)=O)cc1

Formula: C16H14N2O4S3

MW: 394.50 | LogP: 3.12

TPSA: 103.26

Patterns:

Sulfone

Detail

Select ID 1469 DB Docking_panel_21

Z56836237

ID 1469

Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3)oc2NCc2cccnc2)cc1

Formula: C22H19N3O3S

MW: 405.48 | LogP: 4.49

TPSA: 85.09

Patterns:

Sulfone

Detail

Select ID 1474 DB Docking_panel_21

KB_Leish_110

ID 1474

Cc1ccc2onc(Nc3ccnc(Nc4cccc(S(C)(=O)=O)c4)n3)c2c1

Formula: C19H17N5O3S

MW: 395.44 | LogP: 3.82

TPSA: 110.01

Patterns:

Sulfone

Detail

Select ID 1537 DB Docking_panel_21

OHD_TB2020_29

ID 1537

O=C(Nc1ccccc1)N[C@@H](Cc1ccccc1)C(=O)N[C@H](/C=C/S(=O)(=O)c1ccccc1)CCCCNS(=O)(=O)c1cccc2ccccc12

Formula: C39H40N4O6S2

MW: 724.91 | LogP: 6.19

TPSA: 150.54

Patterns:

Sulfone

Detail

Select ID 1544 DB Docking_panel_21

Z57785698

ID 1544

Cc1ccc(S(=O)(=O)c2cc3c(=O)n4ccccc4nc3n(CCc3ccccc3)c2=[NH2+])cc1

Formula: C26H23N4O3S+

MW: 471.56 | LogP: 1.69

TPSA: 99.03

Patterns:

Sulfone

Detail

Select ID 1622 DB Docking_panel_21

KB_Leish_168

ID 1622

CC(C)(C)Nc1nc(Nc2ccc3c(c2)CS(=O)(=O)C3)[nH+]c2[nH]ccc12

Formula: C18H22N5O2S+

MW: 372.47 | LogP: 2.76

TPSA: 101.02

Patterns:

Sulfone

Detail

Select ID 1630 DB Docking_panel_21

OHD_Babesia_59

ID 1630

COc1cc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)c[nH+]c2N)ccc1O

Formula: C19H19N2O4S+

MW: 371.44 | LogP: 2.53

TPSA: 103.76

Patterns:

Sulfone

Detail

Select ID 1637 DB Docking_panel_21

KB_HAT_129

ID 1637

O=C1CN(Cc2ccco2)[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)cc1

Formula: C17H17ClN2O4S

MW: 380.85 | LogP: 1.95

TPSA: 70.83

Patterns:

Sulfone

Detail

Select ID 1702 DB Docking_panel_21

OHD_TC1_96

ID 1702

O=[N+](O)c1c(CS(=O)(=O)c2ccccc2)nc2c(Sc3ccc(Br)cc3)cc(Cl)cn12

Formula: C20H14BrClN3O4S2+

MW: 539.84 | LogP: 5.67

TPSA: 91.75

Patterns:

Sulfone

Detail

Select ID 1711 DB Docking_panel_21

OHD_TC1_97

ID 1711

O=[N+](O)c1c(CS(=O)(=O)c2ccccc2)nc2c(Sc3ccc(Cl)cc3)cc(Cl)cn12

Formula: C20H14Cl2N3O4S2+

MW: 495.39 | LogP: 5.57

TPSA: 91.75

Patterns:

Sulfone

Detail

Select ID 1742 DB Docking_panel_21

OHD_TB2021_74

ID 1742

Cc1ccc(C[C@@H](NC(=O)c2ccc3c(c2)OCCO3)C(=O)N[C@@H](/C=C(/F)S(=O)(=O)c2ccccc2)CCc2ccccc2)cc1

Formula: C36H35FN2O6S

MW: 642.75 | LogP: 5.51

TPSA: 110.80

Patterns:

Sulfone

Detail

Select ID 1917 DB Docking_panel_21

Z15749616

ID 1917

Cc1ccc(-c2nc(SCC(=O)N(C)[C@@H]3CCS(=O)(=O)C3)[nH]c2-c2ccc(C)cc2)cc1

Formula: C24H27N3O3S2

MW: 469.63 | LogP: 4.10

TPSA: 83.13

Patterns:

Sulfone

Detail

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