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Regex Pattern / motif 49 results

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49 results for Pattern / motif query

Cards

Pattern / motif 49 results DB Docking_panel_21

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Query interpretation

Pattern registry Vnos: carbamate Carbamate

Select ID 18 DB Docking_panel_21

ulfkktlib_459

ID 18

CC(C)(C)OC(=O)N1C[C@@H](C(=O)NN)C(=O)C1(Cc1ccccc1)Cc1ccccc1

Formula: C24H29N3O4

MW: 423.51 | LogP: 2.64

TPSA: 101.73

Patterns:

Carbamate

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:

Carbamate

Detail

Select ID 711 DB Docking_panel_21

ulfkktlib_2631

ID 711

CC(C)(C)OC(=O)NCC(=O)N1CC(OCc2ccccc2)=C([C@H](C[N+](=O)O)c2cccc(Br)c2)C1=O

Formula: C26H29BrN3O7+

MW: 575.44 | LogP: 4.07

TPSA: 125.25

Patterns:

Carbamate

Detail

Select ID 747 DB Docking_panel_21

ulfkktlib_2641

ID 747

O=C(NCC(=O)N1CC(OCc2ccccc2)=C([C@H](C[N+](=O)O)c2ccccc2Cl)C1=O)OCc1ccccc1

Formula: C29H27ClN3O7+

MW: 565.00 | LogP: 4.36

TPSA: 125.25

Patterns:

Carbamate

Detail

Select ID 807 DB Docking_panel_21

ulfkktlib_2156

ID 807

CC(C)(C)OC(=O)NCCc1c(C(=O)NCc2ccccn2)cnn1C(C)(C)C

Formula: C21H31N5O3

MW: 401.51 | LogP: 3.03

TPSA: 98.14

Patterns:

Carbamate

Detail

Select ID 889 DB Docking_panel_21

ulfkktlib_2522

ID 889

CNC(=O)c1cnn2c([C@H](C)NC(=O)OC(C)(C)C)ccnc12

Formula: C15H21N5O3

MW: 319.37 | LogP: 1.67

TPSA: 97.62

Patterns:

Carbamate

Detail

Select ID 913 DB Docking_panel_21

ulfkktlib_1309

ID 913

CC(C)(C)OC(=O)NCC[C@@H]1C=NN(c2ccc(Cl)nn2)C1=O

Formula: C14H18ClN5O3

MW: 339.78 | LogP: 1.99

TPSA: 96.78

Patterns:

Carbamate

Detail

Select ID 940 DB Docking_panel_21

ulfkktlib_1317

ID 940

CC(C)(C)OC(=O)NCC[C@H]1C=NN(c2ccc3nccn3n2)C1=O

Formula: C16H20N6O3

MW: 344.38 | LogP: 1.59

TPSA: 101.19

Patterns:

Carbamate

Detail

Select ID 978 DB Docking_panel_21

OHD_TC1_9

ID 978

O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H](/C=C/c1ccccn1)CCc1ccccc1)OCc1ccccc1

Formula: C33H33N3O3

MW: 519.65 | LogP: 5.75

TPSA: 80.32

Patterns:

Carbamate

Detail

Select ID 981 DB Docking_panel_21

NMT-TY0435

ID 981

O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)OCc1ccccc1

Formula: C18H16N4O4S

MW: 384.42 | LogP: 3.03

TPSA: 110.28

Patterns:

Carbamate

Detail

Select ID 988 DB Docking_panel_21

ulfkktlib_2095

ID 988

O=C(Nc1cc2ccc(O)cc2oc1=O)OCc1ccccc1

Formula: C17H13NO5

MW: 311.29 | LogP: 3.25

TPSA: 88.77

Patterns:

Carbamate

Detail

Select ID 1011 DB Docking_panel_21

KB_chagas_221

ID 1011

COc1cc(NC(=O)Nc2cccc(CNC(=O)OC3CCCCC3)c2)ccc1-c1cnco1

Formula: C25H28N4O5

MW: 464.52 | LogP: 5.55

TPSA: 114.72

Patterns:

Carbamate

Detail

Select ID 1029 DB Docking_panel_21

ulfkktlib_2781

ID 1029

N#Cc1c(-c2ccccc2)c(-c2ccccc2)nn2c(=O)c(NC(=O)OCc3ccccc3)cnc12

Formula: C28H19N5O3

MW: 473.49 | LogP: 5.04

TPSA: 109.38

Patterns:

Carbamate

Detail

Select ID 1039 DB Docking_panel_21

ulfkktlib_1301

ID 1039

CC(C)(C)OC(=O)NCCc1cc(O)n(-c2ccc(Cl)cc2)n1

Formula: C16H20ClN3O3

MW: 337.81 | LogP: 3.30

TPSA: 76.38

Patterns:

Carbamate

Detail

Select ID 1134 DB Docking_panel_21

Z104483552

ID 1134

O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)OCc1ccccc1

Formula: C19H18N2O4

MW: 338.36 | LogP: 3.09

TPSA: 91.42

Patterns:

Carbamate

Detail

Select ID 1135 DB Docking_panel_21

ulfkktlib_1352

ID 1135

C[C@@H](O)[C@H](NC(=O)OCc1ccccc1)c1ccnc2c(C#N)cnn12

Formula: C18H17N5O3

MW: 351.37 | LogP: 1.95

TPSA: 112.54

Patterns:

Carbamate

Detail

Select ID 1242 DB Docking_panel_21

NMT-TY0432

ID 1242

Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)OCc3ccccc3)cc2)n1

Formula: C19H18N4O4S

MW: 398.44 | LogP: 3.33

TPSA: 110.28

Patterns:

Carbamate

Detail

Select ID 1264 DB Docking_panel_21

ulfkktlib_1346

ID 1264

N#Cc1cnn2c([C@H](Cc3ccccc3)NC(=O)OCc3ccccc3)ccnc12

Formula: C23H19N5O2

MW: 397.44 | LogP: 3.81

TPSA: 92.31

Patterns:

Carbamate

Detail

Select ID 1475 DB Docking_panel_21

ulfkktlib_1383

ID 1475

O=C(NCC(=O)N1CC(=O)/C(=C\NO)C1=O)OCc1ccccc1

Formula: C15H15N3O6

MW: 333.30 | LogP: -0.29

TPSA: 125.04

Patterns:

Carbamate

Detail

Select ID 1476 DB Docking_panel_21

ulfkktlib_2067

ID 1476

O=C(N[C@@H]1COC(=O)/C1=C/Nc1cccc(O)c1)OCc1ccccc1

Formula: C19H18N2O5

MW: 354.36 | LogP: 2.54

TPSA: 96.89

Patterns:

Carbamate

Detail

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