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Regex Pattern / motif 401 results

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401 results for Pattern / motif query

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Pattern / motif 401 results DB fairmol

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Query interpretation

Pattern registry Vnos: thiophene Thiophene

Select ID 4 DB fairmol

Z20229393

ID 4

Cc1sc2ncnc(SCc3nnc(-c4ccccc4)o3)c2c1C

Formula: C17H14N4OS2

MW: 354.46 | LogP: 4.65

TPSA: 64.70

Patterns:

Thiophene

Detail

Select ID 10 DB fairmol

Z14342059

ID 10

O=c1cc(CSc2nnc(-c3cccs3)n2Cc2ccccc2)nc2sc3ccccc3n12

Formula: C24H17N5OS3

MW: 487.64 | LogP: 5.57

TPSA: 65.08

Patterns:

Thiophene

Detail

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:

Thiophene

Detail

Select ID 13 DB fairmol

Z235511374

ID 13

Cc1cc2c(SCC(=O)Nc3cccc(O)c3)ncnc2s1

Formula: C15H13N3O2S2

MW: 331.42 | LogP: 3.44

TPSA: 75.11

Patterns:

Thiophene

Detail

Select ID 17 DB fairmol

ulfkktlib_977

ID 17

CN(C)c1ccc(-c2ccsc2-c2cc3ccccc3c[nH+]2)cc1

Formula: C21H19N2S+

MW: 331.46 | LogP: 5.12

TPSA: 17.38

Patterns:

Thiophene

Detail

Select ID 19 DB fairmol

KB_HAT_186

ID 19

O=c1[nH]c(NCCC[NH2+]Cc2cc(Br)cc(Br)c2)nc2ccsc12

Formula: C16H17Br2N4OS+

MW: 473.21 | LogP: 3.08

TPSA: 74.39

Patterns:

Thiophene

Detail

Select ID 22 DB fairmol

Z49894254

ID 22

CC(C)c1ccc(/C=[NH+]\N=c2/[nH+]c[nH]c3sc4c(c23)CCCC4)cc1

Formula: C20H24N4S+2

MW: 352.51 | LogP: 2.06

TPSA: 56.26

Patterns:

Thiophene

Detail

Select ID 23 DB fairmol

ulfkktlib_975

ID 23

N#Cc1ccc(-c2ccsc2-c2cc3ccccc3c[nH+]2)cc1

Formula: C20H13N2S+

MW: 313.41 | LogP: 4.92

TPSA: 37.93

Patterns:

Thiophene

Detail

Select ID 28 DB fairmol

Z56784505

ID 28

O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C\c1ccc(Br)cc1)c1cccs1

Formula: C23H19BrN4O2S

MW: 495.40 | LogP: 4.48

TPSA: 86.35

Patterns:

Thiophene

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:

Thiophene

Detail

Select ID 47 DB fairmol

Z31243438

ID 47

Cc1nc(Sc2nnnn2C)c2c3c(sc2n1)CCC3

Formula: C12H12N6S2

MW: 304.40 | LogP: 2.16

TPSA: 69.38

Patterns:

Thiophene

Detail

Select ID 59 DB fairmol

KB_Leish_189

ID 59

COc1ccc2ncc(F)c(CC[N@H+]3CC[C@@H](NC(=O)c4cc5c(s4)CCC5)[C@@H](O)C3)c2n1

Formula: C24H28FN4O3S+

MW: 471.58 | LogP: 1.32

TPSA: 88.78

Patterns:

Thiophene

Detail

Select ID 61 DB fairmol

ulfkktlib_978

ID 61

COc1ccc(-c2ccsc2-c2cc3ccccc3c[nH+]2)cc1

Formula: C20H16NOS+

MW: 318.42 | LogP: 5.06

TPSA: 23.37

Patterns:

Thiophene

Detail

Select ID 91 DB fairmol

Z56842660

ID 91

CNc1sc(C(=O)c2ccccc2F)c(N)c1-c1nc2ccccc2s1

Formula: C19H14FN3OS2

MW: 383.47 | LogP: 5.02

TPSA: 68.01

Patterns:

Thiophene

Detail

Select ID 96 DB fairmol

Z56842667

ID 96

CNc1sc(C(=O)c2ccc(F)cc2)c(N)c1-c1nc2ccccc2s1

Formula: C19H14FN3OS2

MW: 383.47 | LogP: 5.02

TPSA: 68.01

Patterns:

Thiophene

Detail

Select ID 122 DB fairmol

Z16379965

ID 122

Cc1cc(NC(=O)CSc2nc(-c3cccs3)nc3ccccc23)no1

Formula: C18H14N4O2S2

MW: 382.47 | LogP: 4.39

TPSA: 80.91

Patterns:

Thiophene

Detail

Select ID 128 DB fairmol

Z151832316

ID 128

Oc1nc(CSc2nnc(NC[C@H]3CCCO3)s2)nc2sc(-c3ccccc3)cc12

Formula: C20H19N5O2S3

MW: 457.61 | LogP: 4.80

TPSA: 93.05

Patterns:

Thiophene

Detail

Select ID 140 DB fairmol

Z20229397

ID 140

Cc1sc2ncnc(SCC(=O)NC(=O)c3cccn3C)c2c1C

Formula: C16H16N4O2S2

MW: 360.46 | LogP: 2.70

TPSA: 76.88

Patterns:

Thiophene

Detail

Select ID 151 DB fairmol

Z31238035

ID 151

Cc1nc(N2CCC(C(N)=O)CC2)c2c(-c3cccs3)csc2n1

Formula: C17H18N4OS2

MW: 358.49 | LogP: 3.43

TPSA: 72.11

Patterns:

Thiophene

Detail

Select ID 162 DB fairmol

OHD_ACDS_48

ID 162

O=S(=O)(NCC(c1c[nH]c2cc(Br)ccc12)c1c[nH]c2cc(Br)ccc12)c1cccs1

Formula: C22H17Br2N3O2S2

MW: 579.34 | LogP: 6.35

TPSA: 77.75

Patterns:

Thiophene

Detail

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