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 123 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

123 results for Pattern / motif query

Cards

Pattern / motif 123 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: naphthalene Naphthalene

Select ID 35 DB Docking_panel_21

Z49536372

ID 35

Oc1ccc(/C=N/Nc2ccc3ccccc3c2)c(O)c1

Formula: C17H14N2O2

MW: 278.31 | LogP: 3.70

TPSA: 64.85

Patterns:

Naphthalene

Detail

Select ID 79 DB Docking_panel_21

ulfkktlib_1376

ID 79

O=C(NCC(=O)N1CC(=O)/C(=C\Nc2cccc3ccccc23)C1=O)OCc1ccccc1

Formula: C25H21N3O5

MW: 443.46 | LogP: 3.00

TPSA: 104.81

Patterns:

Naphthalene

Detail

Select ID 84 DB Docking_panel_21

OSA_Lib_28

ID 84

CN(C)[C@@]12CC[NH2+][C@@H]([C@@H](c3cccc4ccccc34)C1)[C@H](c1cccc3ccccc13)C2

Formula: C30H33N2+

MW: 421.61 | LogP: 5.29

TPSA: 19.85

Patterns:

Naphthalene

Detail

Select ID 85 DB Docking_panel_21

Z57457889

ID 85

O=C1C=Cc2ccccc2/C1=C\N/N=C(\O)c1cc(-c2ccc3ccccc3c2)n[nH]1

Formula: C25H18N4O2

MW: 406.45 | LogP: 4.68

TPSA: 90.37

Patterns:

Naphthalene

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:

Naphthalene

Detail

Select ID 145 DB Docking_panel_21

OHD_TB2019_7

ID 145

Cc1ccc2[nH]c(CCNC(=O)COc3ccc4ccccc4c3Br)cc2c1

Formula: C23H21BrN2O2

MW: 437.34 | LogP: 5.13

TPSA: 54.12

Patterns:

Naphthalene

Detail

Select ID 182 DB Docking_panel_21

Z26548007

ID 182

N#Cc1cccc(NC(=O)CSc2ccc3c4c(cccc24)C(=O)c2ccccc2-3)c1

Formula: C26H16N2O2S

MW: 420.49 | LogP: 5.65

TPSA: 69.96

Patterns:

Naphthalene

Detail

Select ID 201 DB Docking_panel_21

Z49976331

ID 201

C[C@@]1(c2ccc(OC(F)F)cc2)N=C(O)N(/N=C\c2c(O)ccc3ccccc23)C1=O

Formula: C22H17F2N3O4

MW: 425.39 | LogP: 4.15

TPSA: 94.72

Patterns:

Naphthalene

Detail

Select ID 209 DB Docking_panel_21

Z16027953

ID 209

C[C@H](OC(=O)c1cc(O)c2ccccc2c1O)C(=O)Nc1ccc(C(N)=O)cc1

Formula: C21H18N2O6

MW: 394.38 | LogP: 2.53

TPSA: 138.95

Patterns:

Naphthalene

Detail

Select ID 243 DB Docking_panel_21

Z56948577

ID 243

O=S(=O)(Nc1nc2ccccc2nc1Cl)c1ccc2ccccc2c1

Formula: C18H12ClN3O2S

MW: 369.83 | LogP: 4.24

TPSA: 71.95

Patterns:

Naphthalene

Detail

Select ID 254 DB Docking_panel_21

Z56781211

ID 254

Oc1ccc2ccccc2c1/C=N\Nc1nnc(-c2ncc[nH]2)c2ccccc12

Formula: C22H16N6O

MW: 380.41 | LogP: 4.32

TPSA: 99.08

Patterns:

Naphthalene

Detail

Select ID 262 DB Docking_panel_21

Z56784540

ID 262

O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C\c1cccc2ccccc12)c1cccs1

Formula: C27H22N4O2S

MW: 466.57 | LogP: 4.87

TPSA: 86.35

Patterns:

Naphthalene

Detail

Select ID 274 DB Docking_panel_21

Z56768366

ID 274

O=S(=O)(Nc1ccc(O)c(-c2c(O)ccc3ccccc23)c1)c1ccc(Cl)cc1

Formula: C22H16ClNO4S

MW: 425.89 | LogP: 5.37

TPSA: 86.63

Patterns:

Naphthalene

Detail

Select ID 278 DB Docking_panel_21

Z44848907

ID 278

COc1cc(/C=N\NC(=O)c2ccc(CN3C(=O)c4cccc5cccc3c45)cc2)cc(OC)c1O

Formula: C28H23N3O5

MW: 481.51 | LogP: 4.49

TPSA: 100.46

Patterns:

Naphthalene

Detail

Select ID 303 DB Docking_panel_21

OHD_TC1_132

ID 303

Clc1ccc([C@H](c2c[nH]cc2-c2ccc3ccccc3c2)n2cc[nH+]c2)c(Cl)c1

Formula: C24H18Cl2N3+

MW: 419.34 | LogP: 6.40

TPSA: 34.86

Patterns:

Naphthalene

Detail

Select ID 306 DB Docking_panel_21

OHD_TB2020_44

ID 306

COc1ccc(CN2Cc3c(C(=O)NCc4cccc5ccccc45)nn(CC[NH3+])c3C2)c2ccccc12

Formula: C31H32N5O2+

MW: 506.63 | LogP: 3.89

TPSA: 87.03

Patterns:

Naphthalene

Detail

Select ID 336 DB Docking_panel_21

Z44848695

ID 336

O=C(N/N=C\c1ccc(O)cc1O)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1

Formula: C26H19N3O4

MW: 437.46 | LogP: 4.18

TPSA: 102.23

Patterns:

Naphthalene

Detail

Select ID 350 DB Docking_panel_21

OHD_TC1_11

ID 350

O=C(C[C@@H](Nc1ccc2ccccc2c1)c1ccncc1)c1ccc(Br)cc1

Formula: C24H19BrN2O

MW: 431.33 | LogP: 6.42

TPSA: 41.99

Patterns:

Naphthalene

Detail

Select ID 364 DB Docking_panel_21

Z56815073

ID 364

O=C(CSc1ccc(Br)c2cccc(Cl)c12)Nc1ccc(S(=O)(=O)/N=c2/[nH]ccs2)cc1

Formula: C21H15BrClN3O3S3

MW: 568.93 | LogP: 5.67

TPSA: 91.39

Patterns:

Naphthalene

Detail

Select ID 379 DB Docking_panel_21

OHD_Leishmania_314

ID 379

O=C1c2cccc3cccc(c23)C(=O)N1CCCCC[NH+]1CCN(c2cccc(Cl)c2)CC1

Formula: C27H29ClN3O2+

MW: 463.00 | LogP: 3.66

TPSA: 45.06

Patterns:

Naphthalene

Detail

Page 1 / 7