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690 results for Pattern / motif query
Pattern / motif 690 results DB fairmol
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Query interpretation
Pattern registry Vnos: sulfide Sulfide
ID 2 DB fairmol
2D structure

Z20253414

ID 2

Cn1c(SCC(=O)NC(=O)NCc2ccco2)nnc1-c1ccccc1

Formula: C17H17N5O3S

MW: 371.42 | LogP: 2.19

TPSA: 102.05

Patterns:

Sulfide
Detail
ID 3 DB fairmol
2D structure

Z19597181

ID 3

Cc1ccc(-c2nnc(SCC(=O)NC(=O)Nc3ccc(C)cc3C)n2N)cc1

Formula: C20H22N6O2S

MW: 410.50 | LogP: 3.02

TPSA: 114.93

Patterns:

Sulfide
Detail
ID 4 DB fairmol
2D structure

Z20229393

ID 4

Cc1sc2ncnc(SCc3nnc(-c4ccccc4)o3)c2c1C

Formula: C17H14N4OS2

MW: 354.46 | LogP: 4.65

TPSA: 64.70

Patterns:

Sulfide
Detail
ID 8 DB fairmol
2D structure

Z46109754

ID 8

Cc1cccc(/C=C\C(=O)c2ccc(NC3=[NH+]CCCS3)cc2)c1

Formula: C20H21N2OS+

MW: 337.47 | LogP: 2.88

TPSA: 43.07

Patterns:

Sulfide
Detail
ID 9 DB fairmol
2D structure

Z24314037

ID 9

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

Formula: C21H20N4O5S

MW: 440.48 | LogP: 2.46

TPSA: 96.73

Patterns:

Sulfide
Detail
ID 10 DB fairmol
2D structure

Z14342059

ID 10

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

Formula: C24H17N5OS3

MW: 487.64 | LogP: 5.57

TPSA: 65.08

Patterns:

Sulfide
Detail
ID 13 DB fairmol
2D structure

Z235511374

ID 13

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

Formula: C15H13N3O2S2

MW: 331.42 | LogP: 3.44

TPSA: 75.11

Patterns:

Sulfide
Detail
ID 15 DB fairmol
2D structure

NMT-TY0601

ID 15

CC(=O)Nc1ccc(S(=O)(=O)Nc2c(N)[nH]c(SCc3ccccc3)nc2=O)cc1

Formula: C19H19N5O4S2

MW: 445.53 | LogP: 2.40

TPSA: 147.04

Patterns:

Sulfide
Detail
ID 18 DB fairmol
2D structure

NMT-TY0958

ID 18

Nc1cccc(S(=O)(=O)Nc2c(N)nc(SCCCc3ccccc3)[nH]c2=O)c1

Formula: C19H21N5O3S2

MW: 431.54 | LogP: 2.46

TPSA: 143.96

Patterns:

Sulfide
Detail
ID 26 DB fairmol
2D structure

Z19160931

ID 26

COc1ccc(NS(=O)(=O)c2ccc3oc(S[C@@H](C)C(N)=O)nc3c2)cc1

Formula: C17H17N3O5S2

MW: 407.47 | LogP: 2.60

TPSA: 124.52

Patterns:

Sulfide
Detail
ID 30 DB fairmol
2D structure

KB_chagas_205

ID 30

O=C(CSc1ccc(-c2ccccn2)nn1)Nc1ccc(Cl)cc1

Formula: C17H13ClN4OS

MW: 356.84 | LogP: 3.92

TPSA: 67.77

Patterns:

Sulfide
Detail
ID 42 DB fairmol
2D structure

Z49724748

ID 42

Cc1cc(SCC(=O)N/N=C\c2ccc(O)c(O)c2O)c(C)cc1Br

Formula: C17H17BrN2O4S

MW: 425.30 | LogP: 3.43

TPSA: 102.15

Patterns:

Sulfide
Detail
ID 45 DB fairmol
2D structure

Z31183768

ID 45

Cc1noc(C)c1CSc1nc2ccccc2[nH]/c1=N\S(=O)(=O)c1ccc(Cl)cc1

Formula: C20H17ClN4O3S2

MW: 460.97 | LogP: 4.40

TPSA: 101.21

Patterns:

Sulfide
Detail
ID 47 DB fairmol
2D structure

Z31243438

ID 47

Cc1nc(Sc2nnnn2C)c2c3c(sc2n1)CCC3

Formula: C12H12N6S2

MW: 304.40 | LogP: 2.16

TPSA: 69.38

Patterns:

Sulfide
Detail
ID 50 DB fairmol
2D structure

Z24181579

ID 50

C=CCn1c(SCC(=O)NCc2ccc3c(c2)OCO3)nnc1[C@@H]1COc2ccccc2O1

Formula: C23H22N4O5S

MW: 466.52 | LogP: 3.11

TPSA: 96.73

Patterns:

Sulfide
Detail
ID 51 DB fairmol
2D structure

Z56821211

ID 51

Cn1c(SCC(=O)N/N=C\c2ccc(O)c(O)c2)nc2ccccc21

Formula: C17H16N4O3S

MW: 356.41 | LogP: 2.23

TPSA: 99.74

Patterns:

Sulfide
Detail
ID 65 DB fairmol
2D structure

Z92413403

ID 65

NS(=O)(=O)c1cccc(NC(=O)CSc2nnc(-c3ccncc3)n2C2CC2)c1

Formula: C18H18N6O3S2

MW: 430.52 | LogP: 2.05

TPSA: 132.86

Patterns:

Sulfide
Detail
ID 93 DB fairmol
2D structure

NMT-TY0612

ID 93

CC(=O)Nc1ccc(S(=O)(=O)Nc2c(N)[nH]c(SCCc3ccccc3)nc2=O)cc1

Formula: C20H21N5O4S2

MW: 459.55 | LogP: 2.45

TPSA: 147.04

Patterns:

Sulfide
Detail
ID 98 DB fairmol
2D structure

Z56802793

ID 98

C[n+]1c(S)n[nH]c1CSc1[nH+]c2ccccc2s1

Formula: C11H12N4S3+2

MW: 296.45 | LogP: 1.84

TPSA: 46.70

Patterns:

Sulfide
Detail
ID 100 DB fairmol
2D structure

Z19456272

ID 100

O=S(=O)(c1cccc(CSc2nnc(-c3ccc4c(c3)OCO4)o2)c1)N1CCOCC1

Formula: C20H19N3O6S2

MW: 461.52 | LogP: 2.78

TPSA: 103.99

Patterns:

Sulfide
Detail
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