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Jasen preklop med dedupliciranimi compounds in posameznimi samples.
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30 results for Pattern / motif query
Pattern / motif 30 results DB Docking_panel_21
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Query interpretation
Pattern registry Vnos: oxadiazole Oxadiazole
ID 25 DB Docking_panel_21
2D structure

Z20229393

ID 25

Cc1sc2ncnc(SCc3nnc(-c4ccccc4)o3)c2c1C

Formula: C17H14N4OS2

MW: 354.46 | LogP: 4.65

TPSA: 64.70

Patterns:

Oxadiazole
Detail
ID 64 DB Docking_panel_21
2D structure

TC394

ID 64

Cc1c(C)c2c(c(C)c1O)SC[C@](C)(c1nnc(CCc3ccc(O)c(O)c3)o1)O2

Formula: C22H24N2O5S

MW: 428.51 | LogP: 4.30

TPSA: 108.84

Patterns:

Oxadiazole
Detail
ID 77 DB Docking_panel_21
2D structure

TC393

ID 77

COc1ccc(CCc2nnc([C@]3(C)CSc4c(C)c(O)c(C)c(C)c4O3)o2)cc1OC

Formula: C24H28N2O5S

MW: 456.56 | LogP: 4.90

TPSA: 86.84

Patterns:

Oxadiazole
Detail
ID 111 DB Docking_panel_21
2D structure

MK155

ID 111

Cc1c(C)c2c(c(C)c1O)CC[C@](C)(c1nnc(CCc3ccc(O)c(O)c3)o1)O2

Formula: C23H26N2O5

MW: 410.47 | LogP: 4.14

TPSA: 108.84

Patterns:

Oxadiazole
Detail
ID 568 DB Docking_panel_21
2D structure

Z21486077

ID 568

CCOC(=O)Cc1csc(NC(=O)CSc2nnc(-c3ccncc3)o2)n1

Formula: C16H15N5O4S2

MW: 405.46 | LogP: 2.42

TPSA: 120.10

Patterns:

Oxadiazole
Detail
ID 756 DB Docking_panel_21
2D structure

TC345

ID 756

[NH3+]Cc1nnc(Cc2ccc(O)cc2O)o1

Formula: C10H12N3O3+

MW: 222.22 | LogP: -0.19

TPSA: 107.02

Patterns:

Oxadiazole
Detail
ID 779 DB Docking_panel_21
2D structure

Z21485324

ID 779

N#Cc1cccc(CSc2nnc(-c3ccncc3)o2)c1

Formula: C15H10N4OS

MW: 294.34 | LogP: 3.30

TPSA: 75.60

Patterns:

Oxadiazole
Detail
ID 823 DB Docking_panel_21
2D structure

TC357

ID 823

COc1ccc(CCc2nnc(C[NH3+])o2)c(OC)c1

Formula: C13H18N3O3+

MW: 264.31 | LogP: 0.61

TPSA: 85.02

Patterns:

Oxadiazole
Detail
ID 846 DB Docking_panel_21
2D structure

Z18650921

ID 846

Cc1cc(C(=O)CSc2nnc(-c3ccco3)o2)c(C)n1Cc1ccco1

Formula: C19H17N3O4S

MW: 383.43 | LogP: 4.36

TPSA: 87.20

Patterns:

Oxadiazole
Detail
ID 850 DB Docking_panel_21
2D structure

Z19456393

ID 850

COc1ccc(C2=NC[C@H](CSc3nnc(-c4ccc5c(c4)OCO5)o3)S2)cc1

Formula: C20H17N3O4S2

MW: 427.51 | LogP: 4.13

TPSA: 78.97

Patterns:

Oxadiazole
Detail
ID 871 DB Docking_panel_21
2D structure

Z21488718

ID 871

N#Cc1ccc(CSc2nnc(-c3ccncc3)o2)cc1

Formula: C15H10N4OS

MW: 294.34 | LogP: 3.30

TPSA: 75.60

Patterns:

Oxadiazole
Detail
ID 908 DB Docking_panel_21
2D structure

Z19507438

ID 908

O=C(CSc1nnc(-c2ccccc2)o1)Nc1ccccc1F

Formula: C16H12FN3O2S

MW: 329.36 | LogP: 3.61

TPSA: 68.02

Patterns:

Oxadiazole
Detail
ID 945 DB Docking_panel_21
2D structure

KB_chagas_7

ID 945

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

Formula: C20H19N3O6S2

MW: 461.52 | LogP: 2.78

TPSA: 103.99

Patterns:

Oxadiazole
Detail
ID 1079 DB Docking_panel_21
2D structure

Z73374701

ID 1079

CCN(Cc1cccs1)C(=O)CSc1nnc(-c2ccc3c(c2)OCO3)o1

Formula: C18H17N3O4S2

MW: 403.49 | LogP: 3.67

TPSA: 77.69

Patterns:

Oxadiazole
Detail
ID 1090 DB Docking_panel_21
2D structure

Z26368192

ID 1090

Cc1ccc2c(Cl)cc(Cl)c(OCc3nnc(-c4ccccc4)o3)c2n1

Formula: C19H13Cl2N3O2

MW: 386.24 | LogP: 5.48

TPSA: 61.04

Patterns:

Oxadiazole
Detail
ID 1114 DB Docking_panel_21
2D structure

Z19455379

ID 1114

C/C(N)=C(/C#N)C(=O)CSc1nnc(-c2ccc3c(c2)OCO3)o1

Formula: C15H12N4O4S

MW: 344.35 | LogP: 1.88

TPSA: 124.26

Patterns:

Oxadiazole
Detail
ID 1167 DB Docking_panel_21
2D structure

Z19455970

ID 1167

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

Formula: C18H17N3O5S2

MW: 419.48 | LogP: 3.01

TPSA: 94.76

Patterns:

Oxadiazole
Detail
ID 1195 DB Docking_panel_21
2D structure

Z16403525

ID 1195

O=C(CSc1nnc(COc2ccccc2Cl)o1)NC(=O)NCc1ccco1

Formula: C17H15ClN4O5S

MW: 422.85 | LogP: 3.01

TPSA: 119.49

Patterns:

Oxadiazole
Detail
ID 1433 DB Docking_panel_21
2D structure

Z19456393

ID 1433

COc1ccc(C2=NC[C@@H](CSc3nnc(-c4ccc5c(c4)OCO5)o3)S2)cc1

Formula: C20H17N3O4S2

MW: 427.51 | LogP: 4.13

TPSA: 78.97

Patterns:

Oxadiazole
Detail
ID 1467 DB Docking_panel_21
2D structure

Z19459210

ID 1467

COc1cc(-c2nnc(SCc3cc(=O)oc4cc(O)c(O)cc34)o2)cc(OC)c1OC

Formula: C21H18N2O8S

MW: 458.45 | LogP: 3.57

TPSA: 137.28

Patterns:

Oxadiazole
Detail
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