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Jasen preklop med dedupliciranimi compounds in posameznimi samples.
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Compounds 5571 Samples 0
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9 results for Pattern / motif query
Pattern / motif 9 results DB fairmol
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Query interpretation
Pattern registry Vnos: sulfate Sulfate
ID 117 DB fairmol
2D structure

TC71

ID 117

C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OS(=O)(=O)O)CC[C@@]43C)[C@H]1CC[C@@H]2C(=O)C#Cc1ccccc1

Formula: C28H34O5S

MW: 482.64 | LogP: 5.37

TPSA: 80.67

Patterns:

Sulfate
Detail
ID 178 DB fairmol
2D structure

TC72

ID 178

C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OS(=O)(=O)O)CC[C@@]43C)[C@H]1CC[C@@H]2C(=O)C#CCc1ccccc1

Formula: C29H36O5S

MW: 496.67 | LogP: 5.57

TPSA: 80.67

Patterns:

Sulfate
Detail
ID 531 DB fairmol
2D structure

OHD_TbNat_43

ID 531

O=S(=O)(O)Oc1cc(Br)cc(Br)c1Oc1cc(Br)c(Br)c(Br)c1Oc1ccc(Br)cc1I

Formula: C18H7Br6IO6S

MW: 957.64 | LogP: 9.63

TPSA: 82.06

Patterns:

Sulfate
Detail
ID 592 DB fairmol
2D structure

OHD_TbNat_42

ID 592

O=S(=O)(O)Oc1cc(Br)cc(Br)c1Oc1cc(Br)c(Br)c(Br)c1Oc1ccc(Br)cc1Br

Formula: C18H7Br7O6S

MW: 910.64 | LogP: 9.79

TPSA: 82.06

Patterns:

Sulfate
Detail
ID 4020 DB fairmol
2D structure

TC35

ID 4020

C#C[C@H](O)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OS(=O)(=O)O)CC[C@]4(C)[C@H]3CC[C@@]21C

Formula: C22H32O5S

MW: 408.56 | LogP: 3.75

TPSA: 83.83

Patterns:

Sulfate
Detail
ID 4241 DB fairmol
2D structure

TC72

ID 4241

C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OS(=O)(=O)O)CC[C@@]43C)[C@H]1CC[C@H]2C(=O)C#CCc1ccccc1

Formula: C29H36O5S

MW: 496.67 | LogP: 5.57

TPSA: 80.67

Patterns:

Sulfate
Detail
ID 4325 DB fairmol
2D structure

TC71

ID 4325

C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OS(=O)(=O)O)CC[C@@]43C)[C@H]1CC[C@H]2C(=O)C#Cc1ccccc1

Formula: C28H34O5S

MW: 482.64 | LogP: 5.37

TPSA: 80.67

Patterns:

Sulfate
Detail
ID 4482 DB fairmol
2D structure

TC55

ID 4482

COc1ccc(C#C[C@@H]2CC[C@@H]3[C@H]4CC=C5C[C@@H](OS(=O)(=O)O)CC[C@]5(C)[C@H]4CC[C@]23C)cc1

Formula: C28H36O5S

MW: 484.66 | LogP: 5.81

TPSA: 72.83

Patterns:

Sulfate
Detail
ID 4788 DB fairmol
2D structure

TC71

ID 4788

C[C@]12CC[C@H]3[C@H](CC=C4C[C@@H](OS(=O)(=O)O)CC[C@@]43C)[C@H]1CC[C@H]2C(=O)C#Cc1ccccc1

Formula: C28H34O5S

MW: 482.64 | LogP: 5.37

TPSA: 80.67

Patterns:

Sulfate
Detail