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Regex Pattern / motif 17 results

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17 results for Pattern / motif query

Cards

Pattern / motif 17 results DB Docking_panel_21

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Query interpretation

Pattern registry Vnos: vinyl_sulfone Vinyl sulfone

Select ID 312 DB Docking_panel_21

OHD_TB2021_72

ID 312

Cc1ccc(C[C@@H](NC(=O)c2ccncc2)C(=O)N[C@@H](/C=C(/F)S(=O)(=O)Oc2ccccc2)CCc2ccccc2)cc1

Formula: C33H32FN3O5S

MW: 601.70 | LogP: 5.07

TPSA: 114.46

Patterns:

Vinyl 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:

Vinyl 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:

Vinyl sulfone

Detail

Select ID 751 DB Docking_panel_21

OHD_TB2021_72

ID 751

Cc1ccc(C[C@@H](NC(=O)c2ccncc2)C(=O)N[C@@H](/C=C(\F)S(=O)(=O)Oc2ccccc2)CCc2ccccc2)cc1

Formula: C33H32FN3O5S

MW: 601.70 | LogP: 5.07

TPSA: 114.46

Patterns:

Vinyl 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:

Vinyl 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:

Vinyl sulfone

Detail

Select ID 1972 DB Docking_panel_21

OHD_TB2020_10

ID 1972

O=C(N[C@H](/C=C/S(=O)(=O)c1ccccc1)CCc1ccccc1)c1cccc2nccnc12

Formula: C26H23N3O3S

MW: 457.56 | LogP: 4.35

TPSA: 89.02

Patterns:

Vinyl sulfone

Detail

Select ID 2232 DB Docking_panel_21

OHD_TB2021_74

ID 2232

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:

Vinyl sulfone

Detail

Select ID 2267 DB Docking_panel_21

OHD_TB2020_28

ID 2267

O=C(N[C@H](/C=C/S(=O)(=O)c1ccccc1)CCCCNS(=O)(=O)c1cccc2ccccc12)[C@H](Cc1ccccc1)NC(=S)Nc1ccc(C(F)(F)F)cc1

Formula: C40H39F3N4O5S3

MW: 808.97 | LogP: 7.38

TPSA: 133.47

Patterns:

Vinyl sulfone

Detail

Select ID 2330 DB Docking_panel_21

OHD_TB2021_72

ID 2330

Cc1ccc(C[C@H](NC(=O)c2ccncc2)C(=O)N[C@@H](/C=C(\F)S(=O)(=O)Oc2ccccc2)CCc2ccccc2)cc1

Formula: C33H32FN3O5S

MW: 601.70 | LogP: 5.07

TPSA: 114.46

Patterns:

Vinyl sulfone

Detail

Select ID 2381 DB Docking_panel_21

OHD_TB2021_74

ID 2381

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:

Vinyl sulfone

Detail

Select ID 2687 DB Docking_panel_21

OHD_TB2021_74

ID 2687

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:

Vinyl sulfone

Detail

Select ID 2761 DB Docking_panel_21

ulfkktlib_3677

ID 2761

O=S(=O)(/C=C(/Cl)c1ccc(-c2ccccc2)cc1)/C(=C/C(F)(F)F)c1ccc(-c2ccccc2)cc1

Formula: C29H20ClF3O2S

MW: 524.99 | LogP: 8.58

TPSA: 34.14

Patterns:

Vinyl sulfone

Detail

Select ID 3209 DB Docking_panel_21

OHD_TB2020_9

ID 3209

C[C@@H]1CC(C)(C)[NH2+]c2c(C(=O)N[C@H](/C=C/S(=O)(=O)c3ccccc3)CCc3ccccc3)cccc21

Formula: C30H35N2O3S+

MW: 503.69 | LogP: 4.89

TPSA: 79.85

Patterns:

Vinyl sulfone

Detail

Select ID 3415 DB Docking_panel_21

OHD_TB2021_71

ID 3415

Cc1ccc(C[C@H](NC(=O)c2ccncc2)C(=O)N[C@H](/C=C(\F)S(=O)(=O)Cc2ccccc2)CCc2ccccc2)cc1

Formula: C34H34FN3O4S

MW: 599.73 | LogP: 5.27

TPSA: 105.23

Patterns:

Vinyl sulfone

Detail

Select ID 3446 DB Docking_panel_21

OHD_TB2021_74

ID 3446

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:

Vinyl sulfone

Detail

Select ID 3450 DB Docking_panel_21

OHD_TB2020_30

ID 3450

O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H](/C=C/S(=O)(=O)c1ccccc1)CCCCNS(=O)(=O)c1cccc2ccccc12)c1ccc(C(F)(F)F)cc1

Formula: C40H38F3N3O6S2

MW: 777.89 | LogP: 6.82

TPSA: 138.51

Patterns:

Vinyl sulfone

Detail