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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: benzodioxane Benzodioxane

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:

Benzodioxane

Detail

Select ID 194 DB Docking_panel_21

Z25066100

ID 194

CC(=O)Nc1ccc(SCC(=O)c2cc(C)n(C[C@H]3COc4ccccc4O3)c2C)cc1

Formula: C25H26N2O4S

MW: 450.56 | LogP: 4.88

TPSA: 69.56

Patterns:

Benzodioxane

Detail

Select ID 216 DB Docking_panel_21

Z28654534

ID 216

O=C1C[C@@H](/C(O)=N/c2nnc(SCc3c(Cl)cccc3Cl)s2)CN1c1ccc2c(c1)OCCO2

Formula: C22H18Cl2N4O4S2

MW: 537.45 | LogP: 5.55

TPSA: 97.14

Patterns:

Benzodioxane

Detail

Select ID 285 DB Docking_panel_21

Z24314037

ID 285

Cn1c(SCC(=O)NCc2ccc3c(c2)OCO3)nnc1[C@H]1COc2ccccc2O1

Formula: C21H20N4O5S

MW: 440.48 | LogP: 2.46

TPSA: 96.73

Patterns:

Benzodioxane

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:

Benzodioxane

Detail

Select ID 398 DB Docking_panel_21

KB_HAT_191

ID 398

COc1ccc2nccc(NC(=O)C3(OC)CCN(C[C@@H](O)c4ccc5c(c4)OCCO5)CC3)c2n1

Formula: C26H30N4O6

MW: 494.55 | LogP: 2.56

TPSA: 115.27

Patterns:

Benzodioxane

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:

Benzodioxane

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:

Benzodioxane

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:

Benzodioxane

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:

Benzodioxane

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:

Benzodioxane

Detail

Select ID 761 DB Docking_panel_21

Z29885101

ID 761

CC(=O)NC[C@@H]1COc2ccccc2O1

Formula: C11H13NO3

MW: 207.23 | LogP: 0.96

TPSA: 47.56

Patterns:

Benzodioxane

Detail

Select ID 769 DB Docking_panel_21

Z45884652

ID 769

S=C(NCc1ccccc1)NC[C@@H]1COc2ccccc2O1

Formula: C17H18N2O2S

MW: 314.41 | LogP: 2.49

TPSA: 42.52

Patterns:

Benzodioxane

Detail

Select ID 832 DB Docking_panel_21

Z49728506

ID 832

C/C(=N/NC(=O)[C@@H]1COc2ccccc2O1)c1ccccn1

Formula: C16H15N3O3

MW: 297.31 | LogP: 1.76

TPSA: 72.81

Patterns:

Benzodioxane

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:

Benzodioxane

Detail

Select ID 861 DB Docking_panel_21

Z31122017

ID 861

c1ccc2c(c1)OC[C@@H](CNc1ncnc3sccc13)O2

Formula: C15H13N3O2S

MW: 299.36 | LogP: 2.94

TPSA: 56.27

Patterns:

Benzodioxane

Detail

Select ID 869 DB Docking_panel_21

Z55981969

ID 869

Nn1c([C@H]2COc3ccccc3O2)n[nH]c1=S

Formula: C10H10N4O2S

MW: 250.28 | LogP: 1.17

TPSA: 78.09

Patterns:

Benzodioxane

Detail

Select ID 881 DB Docking_panel_21

Z49728513

ID 881

O=C(N/N=C/c1c[nH]c2ccccc12)[C@H]1COc2ccccc2O1

Formula: C18H15N3O3

MW: 321.34 | LogP: 2.46

TPSA: 75.71

Patterns:

Benzodioxane

Detail

Select ID 894 DB Docking_panel_21

Z29466466

ID 894

O=C(Nc1nc(-c2ccccn2)cs1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1

Formula: C21H18N4O4S

MW: 422.47 | LogP: 2.97

TPSA: 93.65

Patterns:

Benzodioxane

Detail

Select ID 912 DB Docking_panel_21

Z30200182

ID 912

O=C(Nc1nc2ccccc2s1)[C@H]1COc2ccccc2O1

Formula: C16H12N2O3S

MW: 312.35 | LogP: 3.07

TPSA: 60.45

Patterns:

Benzodioxane

Detail

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