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Regex Pattern / motif 23 results

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23 results for Pattern / motif query

Cards

Pattern / motif 23 results DB fairmol

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Query interpretation

Pattern registry Vnos: vinyl_sulfone Vinyl sulfone

Select ID 130 DB fairmol

OHD_TB2021_72

ID 130

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 562 DB fairmol

OHD_TB2020_29

ID 562

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 810 DB fairmol

OHD_TB2021_71

ID 810

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 817 DB fairmol

OHD_TB2020_10

ID 817

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 843 DB fairmol

OHD_TB2021_74

ID 843

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 901 DB fairmol

OHD_TB2021_73

ID 901

Cc1ccc(C[C@H](NC(=O)c2ccncc2)C(=O)N[C@H](/C=C(\F)S(=O)(=O)c2ccccc2)CCc2ccccc2)cc1

Formula: C33H32FN3O4S

MW: 585.70 | LogP: 5.13

TPSA: 105.23

Patterns:

Vinyl sulfone

Detail

Select ID 1081 DB fairmol

Z29528771

ID 1081

O=C(/C=C\c1ccc(F)cc1)N1CCN(S(=O)(=O)/C=C\c2ccccc2)CC1

Formula: C21H21FN2O3S

MW: 400.48 | LogP: 2.98

TPSA: 57.69

Patterns:

Vinyl sulfone

Detail

Select ID 1293 DB fairmol

OHD_TB2020_8

ID 1293

CC1=CC(C)(C)Nc2c(C(=O)N[C@H](/C=C/S(=O)(=O)c3ccccc3)CCc3ccccc3)cccc21

Formula: C30H32N2O3S

MW: 500.66 | LogP: 6.01

TPSA: 75.27

Patterns:

Vinyl sulfone

Detail

Select ID 1305 DB fairmol

OHD_TB2020_27

ID 1305

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

Formula: C39H40N4O5S3

MW: 740.97 | LogP: 6.36

TPSA: 133.47

Patterns:

Vinyl sulfone

Detail

Select ID 1336 DB fairmol

OHD_TB2020_9

ID 1336

C[C@@H]1CC(C)(C)Nc2c(C(=O)N[C@H](/C=C/S(=O)(=O)c3ccccc3)CCc3ccccc3)cccc21

Formula: C30H34N2O3S

MW: 502.68 | LogP: 6.10

TPSA: 75.27

Patterns:

Vinyl sulfone

Detail

Select ID 1393 DB fairmol

OHD_TB2021_74

ID 1393

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 1415 DB fairmol

OHD_TB2021_72

ID 1415

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 1445 DB fairmol

OHD_TB2020_28

ID 1445

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 1994 DB fairmol

Z44380292

ID 1994

O=S(=O)(/C(=C/c1ccc(C(F)(F)F)cc1)c1nc2ccccc2[nH]1)c1ccccc1

Formula: C22H15F3N2O2S

MW: 428.44 | LogP: 5.55

TPSA: 62.82

Patterns:

Vinyl sulfone

Detail

Select ID 3273 DB fairmol

OHD_TB2020_9

ID 3273

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 3312 DB fairmol

OHD_TB2022_12

ID 3312

O=C(NCc1ccccc1C(=O)N[C@H](/C=C/S(=O)(=O)c1ccccc1)CCc1ccccc1)c1ccccc1

Formula: C32H30N2O4S

MW: 538.67 | LogP: 5.34

TPSA: 92.34

Patterns:

Vinyl sulfone

Detail

Select ID 3457 DB fairmol

Z57088460

ID 3457

COc1ccc(C(=O)NC(=C(Cl)Cl)S(=O)(=O)c2ccc(C)cc2)cc1

Formula: C17H15Cl2NO4S

MW: 400.28 | LogP: 3.81

TPSA: 72.47

Patterns:

Vinyl sulfone

Detail

Select ID 4068 DB fairmol

OHD_TB2021_74

ID 4068

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 4285 DB fairmol

ulfkktlib_3677

ID 4285

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 4772 DB fairmol

OHD_TB2021_74

ID 4772

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

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