Compounds

Library browser

Jasen preklop med dedupliciranimi compounds in posameznimi samples.

Open analysis

Compounds 3586 Samples 0

Search Workspace

Chemical search

Build a query, refine the result set, and sketch a structure without leaving the page.

Regex Pattern / motif 108 results

Clear

Query

Treat text query as regular expression

Mode

Sort

Per page

Similarity threshold

Threshold 0.50

Properties

MW min

MW max

LogP min

LogP max

TPSA min

TPSA max

Property fields regex

Reset all

Results

108 results for Pattern / motif query

Cards

Pattern / motif 108 results DB Docking_panel_21

Selected 0 Select all on page Select all results

Global compound selection stays available across the browser. Save selected compounds into analysis sets A / B / C, then use union, intersection or negation in the Analysis selection workbench.

Query interpretation

Pattern registry Vnos: acetal Acetal

Select ID 96 DB Docking_panel_21

KB_Leish_72

ID 96

Cc1cc2cc(CNc3ccc4c(c3)OCO4)c(=O)n(CCO)c2cc1C

Formula: C21H22N2O4

MW: 366.42 | LogP: 2.95

TPSA: 72.72

Patterns:

Acetal

Detail

Select ID 101 DB Docking_panel_21

Z18509545

ID 101

C[C@@H](C(=O)NCc1ccc2c(c1)OCO2)N1c2cccc3cccc(c23)S1(=O)=O

Formula: C21H18N2O5S

MW: 410.45 | LogP: 2.78

TPSA: 84.94

Patterns:

Acetal

Detail

Select ID 136 DB Docking_panel_21

Z24181579

ID 136

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

Formula: C23H22N4O5S

MW: 466.52 | LogP: 3.11

TPSA: 96.73

Patterns:

Acetal

Detail

Select ID 143 DB Docking_panel_21

KB_Leish_46

ID 143

O=C(CN1CC[C@@]2(O)CCCC[C@H]2[C@H]1c1ccc2c(c1)OCO2)Nc1ccc(Cl)cc1Cl

Formula: C24H26Cl2N2O4

MW: 477.39 | LogP: 5.03

TPSA: 71.03

Patterns:

Acetal

Detail

Select ID 157 DB Docking_panel_21

Z15911917

ID 157

Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccc2)n1Cc1ccc2c(c1)OCO2

Formula: C26H24N4O3S

MW: 472.57 | LogP: 5.07

TPSA: 78.27

Patterns:

Acetal

Detail

Select ID 184 DB Docking_panel_21

OHD_TbNat_104

ID 184

CC(C)=CC[C@@]12O[C@@H]1C(=O)c1c(O)ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1C2=O

Formula: C21H24O10

MW: 436.41 | LogP: -0.56

TPSA: 166.28

Patterns:

Acetal

Detail

Select ID 255 DB Docking_panel_21

OHD_TC1_128

ID 255

O=C(NCC[C@H]1CC[N@@H+](Cc2ccccc2)CC1)Nc1ncc(-c2ccc3c(c2)OCO3)[nH]1

Formula: C25H30N5O3+

MW: 448.55 | LogP: 2.81

TPSA: 92.71

Patterns:

Acetal

Detail

Select ID 273 DB Docking_panel_21

OSA_Lib_202

ID 273

C[NH+](C)[C@@]12C[C@H](c3ccccc3)[C@@H]([C@H](OC(=O)c3ccc4c(c3)OCO4)C1)[C@H](c1ccccc1)C2

Formula: C30H32NO4+

MW: 470.59 | LogP: 4.21

TPSA: 49.20

Patterns:

Acetal

Detail

Select ID 280 DB Docking_panel_21

Z18798950

ID 280

O=C(COC(=O)c1cc(-c2ccco2)nc2ccccc12)NCc1ccc2c(c1)OCO2

Formula: C24H18N2O6

MW: 430.42 | LogP: 3.70

TPSA: 99.89

Patterns:

Acetal

Detail

Select ID 285 DB Docking_panel_21

Z24314037

ID 285

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

Formula: C21H20N4O5S

MW: 440.48 | LogP: 2.46

TPSA: 96.73

Patterns:

Acetal

Detail

Select ID 316 DB Docking_panel_21

OSA_Lib_109

ID 316

O=C(O[C@@H]1C[C@@]2([NH+]3CCCC3)C[C@H](c3ccccc3)[C@@H]1[C@H](c1ccccc1)C2)c1ccc2c(c1)OCO2

Formula: C32H34NO4+

MW: 496.63 | LogP: 4.74

TPSA: 49.20

Patterns:

Acetal

Detail

Select ID 373 DB Docking_panel_21

OSA_Lib_201

ID 373

O=C(O[C@@H]1C[C@]2([NH+]3CCCCC3)C[C@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)C2)c1ccc2c(c1)OCO2

Formula: C33H36NO4+

MW: 510.65 | LogP: 5.13

TPSA: 49.20

Patterns:

Acetal

Detail

Select ID 374 DB Docking_panel_21

OHD_Leishmania_289

ID 374

C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCc3ccc(O)c(O)c3)O[C@H](CO)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O

Formula: C29H36O15

MW: 624.59 | LogP: -1.02

TPSA: 245.29

Patterns:

Acetal

Detail

Select ID 386 DB Docking_panel_21

OHD_TbNat_105

ID 386

CC1(C)C=CC2=C(O1)C(=O)c1c(O)ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1C2=O

Formula: C21H22O10

MW: 434.40 | LogP: -0.43

TPSA: 162.98

Patterns:

Acetal

Detail

Select ID 429 DB Docking_panel_21

Z1213740102

ID 429

[NH2+]=c1c(C(=O)NCc2ccc3c(c2)OCO3)cc2c(=O)n3ccccc3nc2n1Cc1cccnc1

Formula: C26H21N6O4+

MW: 481.49 | LogP: 0.41

TPSA: 125.34

Patterns:

Acetal

Detail

Select ID 439 DB Docking_panel_21

OHD_Leishmania_45

ID 439

CC(=O)O[C@H]1[C@@H](O[C@H]2[C@@H]3C=CO[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@@H]4O)[C@@H]3[C@@]3(CO)O[C@@H]23)O[C@H](C)[C@@H](OC(=O)/C=C\c2ccccc2)[C@@H]1OC(=O)/C=C\c1ccccc1

Formula: C41H46O17

MW: 810.80 | LogP: 0.36

TPSA: 238.73

Patterns:

Acetal

Detail

Select ID 446 DB Docking_panel_21

Z19540043

ID 446

NC(=O)c1ccc(NC(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccc4c(c2)OCO4)CCC3)cc1

Formula: C31H25N3O6

MW: 535.56 | LogP: 4.73

TPSA: 129.84

Patterns:

Acetal

Detail

Select ID 450 DB Docking_panel_21

OHD_TbNat_131

ID 450

CC(=O)O[C@@H]1[C@H](O)[C@@H](O[C@@H]2[C@@H](OC(=O)[C@H]3CC[C@@H]4[C@H](C3)O[C@]3(C[C@@H](OC(=O)/C=C/c5ccccc5)[C@@H](C)CO3)[C@]43CO3)O[C@@H](CO)[C@@H](O)[C@H]2O)O[C@H](C)[C@H]1O

Formula: C38H50O17

MW: 778.80 | LogP: -0.29

TPSA: 238.73

Patterns:

Acetal

Detail

Select ID 452 DB Docking_panel_21

OHD_TbNat_132

ID 452

CC(=O)O[C@@H]1[C@H](O)[C@H](CO)O[C@@H](OC(=O)[C@H]2CC[C@@H]3[C@H](C2)O[C@]2(C[C@@H](OC(=O)/C=C/c4ccccc4)[C@@H](C)CO2)[C@]32CO2)[C@H]1O[C@H]1OC[C@@H](O)[C@@H](OC(C)=O)[C@@H]1O

Formula: C39H50O18

MW: 806.81 | LogP: -0.10

TPSA: 244.80

Patterns:

Acetal

Detail

Select ID 453 DB Docking_panel_21

OHD_TbNat_130

ID 453

C[C@@H]1O[C@H](O[C@H]2[C@@H](OC(=O)[C@H]3CC[C@@H]4[C@H](C3)O[C@]3(C[C@@H](OC(=O)/C=C/c5ccccc5)[C@@H](C)CO3)[C@]43CO3)O[C@@H](CO)[C@@H](O)[C@H]2O)[C@@H](O)[C@@H](O)[C@H]1O

Formula: C36H48O16

MW: 736.76 | LogP: -0.86

TPSA: 232.66

Patterns:

Acetal

Detail

Page 1 / 6