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Regex Pattern / motif 37 results

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37 results for Pattern / motif query

Cards

Pattern / motif 37 results DB fairmol

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Query interpretation

Pattern registry Vnos: alkyne Alkyne

Select ID 35 DB fairmol

TC165

ID 35

COc1ccc(C#CC(=O)[C@H]2CC[C@@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)c(C)c1

Formula: C30H38O3

MW: 446.63 | LogP: 5.86

TPSA: 46.53

Patterns:

Alkyne

Detail

Select ID 38 DB fairmol

TC94

ID 38

COc1ccc(C#C[C@H](O)[C@@H]2CC[C@@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)cc1

Formula: C29H40O3

MW: 436.64 | LogP: 5.43

TPSA: 49.69

Patterns:

Alkyne

Detail

Select ID 49 DB fairmol

TC164

ID 49

Cc1cc(C)c(C#CC(=O)[C@H]2CC[C@@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)cc1C

Formula: C31H40O2

MW: 444.66 | LogP: 6.47

TPSA: 37.30

Patterns:

Alkyne

Detail

Select ID 117 DB fairmol

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:

Alkyne

Detail

Select ID 178 DB fairmol

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:

Alkyne

Detail

Select ID 637 DB fairmol

OHD_Leishmania_124

ID 637

C#CCN(Cc1cnc2nc(N)nc(N)c2[nH+]1)c1ccc(C(=O)N2CCC(C(=O)OC)CC2)cc1

Formula: C24H27N8O3+

MW: 475.53 | LogP: 0.67

TPSA: 154.70

Patterns:

Alkyne

Detail

Select ID 1207 DB fairmol

TC64

ID 1207

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

Formula: C29H36O2

MW: 416.61 | LogP: 5.74

TPSA: 37.30

Patterns:

Alkyne

Detail

Select ID 1448 DB fairmol

OHD_Leishmania_124

ID 1448

C#CCN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N2CCC(C(=O)OC)CC2)cc1

Formula: C24H26N8O3

MW: 474.53 | LogP: 1.25

TPSA: 153.45

Patterns:

Alkyne

Detail

Select ID 1941 DB fairmol

OHD_TB2023_23

ID 1941

C#Cc1cn([C@@H]2O[C@H](CO)C[C@H]2O)c2ncnc(N)c12

Formula: C13H14N4O3

MW: 274.28 | LogP: -0.36

TPSA: 106.42

Patterns:

Alkyne

Detail

Select ID 2740 DB fairmol

ulfkktlib_2693

ID 2740

CC(C)(O)C#Cc1ccc2ccc(O)cc2c1

Formula: C15H14O2

MW: 226.27 | LogP: 2.67

TPSA: 40.46

Patterns:

Alkyne

Detail

Select ID 3388 DB fairmol

MK37

ID 3388

COc1ccc(C#Cc2c(O)c(C)c(C)c3c2CCC(C)(C)O3)cc1OC

Formula: C23H26O4

MW: 366.46 | LogP: 4.53

TPSA: 47.92

Patterns:

Alkyne

Detail

Select ID 3721 DB fairmol

TC94

ID 3721

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

Formula: C29H40O3

MW: 436.64 | LogP: 5.43

TPSA: 49.69

Patterns:

Alkyne

Detail

Select ID 4020 DB fairmol

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:

Alkyne

Detail

Select ID 4241 DB fairmol

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:

Alkyne

Detail

Select ID 4325 DB fairmol

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:

Alkyne

Detail

Select ID 4482 DB fairmol

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:

Alkyne

Detail

Select ID 4732 DB fairmol

TC64

ID 4732

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

Formula: C29H36O2

MW: 416.61 | LogP: 5.74

TPSA: 37.30

Patterns:

Alkyne

Detail

Select ID 4788 DB fairmol

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:

Alkyne

Detail

Select ID 4835 DB fairmol

TC64

ID 4835

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

Formula: C29H36O2

MW: 416.61 | LogP: 5.74

TPSA: 37.30

Patterns:

Alkyne

Detail

Select ID 4956 DB fairmol

TC94

ID 4956

COc1ccc(C#C[C@H](O)[C@@H]2CC[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)cc1

Formula: C29H40O3

MW: 436.64 | LogP: 5.43

TPSA: 49.69

Patterns:

Alkyne

Detail

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