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Regex Pattern / motif 98 results

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98 results for Pattern / motif query

Cards

Pattern / motif 98 results DB fairmol

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Query interpretation

Pattern registry Vnos: sulfone Sulfone

Select ID 11 DB fairmol

KB_chagas_114

ID 11

CS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3ccc(Cl)s3)cs2)cc1

Formula: C16H13ClN2O3S3

MW: 412.95 | LogP: 4.11

TPSA: 76.13

Patterns:

Sulfone

Detail

Select ID 32 DB fairmol

KB_chagas_102

ID 32

Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)/C=C\c1sc2ccccc2c1Cl

Formula: C22H24ClN3O3S2

MW: 478.04 | LogP: 4.40

TPSA: 72.27

Patterns:

Sulfone

Detail

Select ID 152 DB fairmol

Z57785698

ID 152

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 156 DB fairmol

KB_Leish_114

ID 156

COc1ccc(Nc2nc(N(C)c3n[nH]c4c(F)cccc34)cc[nH+]2)cc1S(C)(=O)=O

Formula: C20H20FN6O3S+

MW: 443.48 | LogP: 2.83

TPSA: 114.35

Patterns:

Sulfone

Detail

Select ID 313 DB fairmol

Z1501480422

ID 313

CS(=O)(=O)CC[NH2+]Cc1ccc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)o1

Formula: C29H27ClFN4O4S+

MW: 582.08 | LogP: 5.11

TPSA: 110.93

Patterns:

Sulfone

Detail

Select ID 388 DB fairmol

KB_HAT_138

ID 388

CS(=O)(=O)c1ccc(Nc2nccc(Nc3n[nH]c4ccc(F)cc34)n2)c(F)c1

Formula: C18H14F2N6O2S

MW: 416.41 | LogP: 3.52

TPSA: 112.66

Patterns:

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:

Sulfone

Detail

Select ID 597 DB fairmol

KB_HAT_86

ID 597

CC(C)S(=O)(=O)c1ccc(-c2cnc(N)c3cc(-c4ccnc(N)n4)ccc23)cc1

Formula: C22H21N5O2S

MW: 419.51 | LogP: 3.71

TPSA: 124.85

Patterns:

Sulfone

Detail

Select ID 686 DB fairmol

KB_HAT_182

ID 686

CS(=O)(=O)c1ccc(Nc2nccc(-c3cnn4ncccc34)n2)cc1

Formula: C17H14N6O2S

MW: 366.41 | LogP: 2.33

TPSA: 102.14

Patterns:

Sulfone

Detail

Select ID 756 DB fairmol

KB_Leish_29

ID 756

Cc1ccc(S(C)(=O)=O)cc1Nc1nccc(-c2sc(N)nc2-c2ccccc2)n1

Formula: C21H19N5O2S2

MW: 437.55 | LogP: 4.30

TPSA: 110.86

Patterns:

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:

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:

Sulfone

Detail

Select ID 827 DB fairmol

Z56958949

ID 827

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 828 DB fairmol

Z56783837

ID 828

CN(C1=C(/N=C(\O)c2ccccc2)C(=O)c2ccccc2C1=O)[C@H]1CCS(=O)(=O)C1

Formula: C22H20N2O5S

MW: 424.48 | LogP: 2.40

TPSA: 104.11

Patterns:

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:

Sulfone

Detail

Select ID 894 DB fairmol

KB_Leish_114

ID 894

COc1ccc(Nc2nccc(N(C)c3n[nH]c4c(F)cccc34)n2)cc1S(C)(=O)=O

Formula: C20H19FN6O3S

MW: 442.48 | LogP: 3.42

TPSA: 113.10

Patterns:

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:

Sulfone

Detail

Select ID 972 DB fairmol

KB_Leish_110

ID 972

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 1070 DB fairmol

OHD_TC1_96

ID 1070

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 1121 DB fairmol

Z16382399

ID 1121

CCN(C(=O)CSc1ncnc2c1cnn2-c1ccccc1)[C@H]1CCS(=O)(=O)C1

Formula: C19H21N5O3S2

MW: 431.54 | LogP: 1.94

TPSA: 98.05

Patterns:

Sulfone

Detail

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