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Regex Pattern / motif 453 results

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453 results for Pattern / motif query

Cards

Pattern / motif 453 results DB Docking_panel_21

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Query interpretation

Pattern registry Vnos: lactam Lactam

Select ID 15 DB Docking_panel_21

KB_chagas_183

ID 15

CC(C)c1cc(C(=O)N2CCC[C@@H](c3cc4[nH+]cccc4[nH]3)C2)on1

Formula: C19H23N4O2+

MW: 339.42 | LogP: 3.11

TPSA: 76.27

Patterns:

Lactam

Detail

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:

Lactam

Detail

Select ID 57 DB Docking_panel_21

Z32749009

ID 57

O=C(c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)N1CCN(c2cccc[nH+]2)CC1

Formula: C22H22FN4O3S+

MW: 441.51 | LogP: 2.40

TPSA: 83.86

Patterns:

Lactam

Detail

Select ID 60 DB Docking_panel_21

Z30879796

ID 60

O=C(c1cc(-c2ccc(Br)cc2)nc2ccccc12)N1CCN(c2ccccc2O)CC1

Formula: C26H22BrN3O2

MW: 488.39 | LogP: 5.33

TPSA: 56.67

Patterns:

Lactam

Detail

Select ID 61 DB Docking_panel_21

Z28978240

ID 61

O=C(CN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2C1)Nc1n[nH]c(SCc2ccc(Cl)cc2)n1

Formula: C20H18ClN5O3S

MW: 443.92 | LogP: 2.50

TPSA: 108.05

Patterns:

Lactam

Detail

Select ID 72 DB Docking_panel_21

Z27116094

ID 72

CSc1cccc(N2C[C@H](C(=O)NCCN3C(=O)S/C(=C\c4cccnc4)C3=O)CC2=O)c1

Formula: C23H22N4O4S2

MW: 482.59 | LogP: 3.01

TPSA: 99.68

Patterns:

Lactam

Detail

Select ID 75 DB Docking_panel_21

Z82167118

ID 75

O=C(CSc1ncnc2c1oc1ccccc12)N1CCCc2ccccc21

Formula: C21H17N3O2S

MW: 375.45 | LogP: 4.45

TPSA: 59.23

Patterns:

Lactam

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:

Lactam

Detail

Select ID 83 DB Docking_panel_21

Z23213151

ID 83

N#CCSc1ccccc1NC(=O)CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O

Formula: C18H17N3O3S

MW: 355.42 | LogP: 2.19

TPSA: 90.27

Patterns:

Lactam

Detail

Select ID 86 DB Docking_panel_21

Z33269755

ID 86

COc1ccc(NC(=O)c2ccc3c(c2)NC(=O)CS3)cc1S(=O)(=O)Nc1ccc(Br)cc1

Formula: C22H18BrN3O5S2

MW: 548.44 | LogP: 4.56

TPSA: 113.60

Patterns:

Lactam

Detail

Select ID 98 DB Docking_panel_21

Z57907392

ID 98

COCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1ccc(SC)cc1

Formula: C21H21N3O3S

MW: 395.48 | LogP: 3.70

TPSA: 78.45

Patterns:

Lactam

Detail

Select ID 103 DB Docking_panel_21

Z1213669189

ID 103

C=CCN1C(=O)c2[nH]nc(-c3c(C)cc(C)cc3O)c2[C@@H]1c1cccc(OCC)c1

Formula: C24H25N3O3

MW: 403.48 | LogP: 4.53

TPSA: 78.45

Patterns:

Lactam

Detail

Select ID 106 DB Docking_panel_21

Z29484725

ID 106

Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)Cc3ccc(S(=O)(=O)N4CCOCC4)s3)CC2)c1

Formula: C22H29N3O6S3

MW: 527.69 | LogP: 1.46

TPSA: 104.30

Patterns:

Lactam

Detail

Select ID 114 DB Docking_panel_21

Z49628521

ID 114

O=C1Nc2ccccc2/C1=N/N/C(O)=C1\C=c2ccccc2=CC1=O

Formula: C19H13N3O3

MW: 331.33 | LogP: 0.55

TPSA: 90.79

Patterns:

Lactam

Detail

Select ID 118 DB Docking_panel_21

ulfkktlib_1672

ID 118

O=C(NCCCO)c1cnc(-c2ccccc2)nc1[C@@H]1CC(=O)N(c2ccccc2)C1

Formula: C24H24N4O3

MW: 416.48 | LogP: 2.78

TPSA: 95.42

Patterns:

Lactam

Detail

Select ID 121 DB Docking_panel_21

Z55328681

ID 121

[H][SH]=C1NC(=O)C(=[NH+][NH2+]c2c(C)n(C)n(-c3ccccc3)c2=O)C(=O)N1

Formula: C15H18N6O3S+2

MW: 362.42 | LogP: -3.89

TPSA: 115.71

Patterns:

Lactam

Detail

Select ID 128 DB Docking_panel_21

OSA_Lib_265

ID 128

O=C(C[NH+]1CCCCC1)N1C[C@H]2[C@H](c3ccccc3)C[C@](N3CCCC3)(C[C@H]2c2ccccc2)C1

Formula: C31H42N3O+

MW: 472.70 | LogP: 3.71

TPSA: 27.99

Patterns:

Lactam

Detail

Select ID 135 DB Docking_panel_21

Z57907181

ID 135

COc1ccc(CCN2C(=O)c3n[nH]c(-c4ccccc4O)c3[C@@H]2c2cccc(O)c2)cc1OC

Formula: C27H25N3O5

MW: 471.51 | LogP: 4.29

TPSA: 107.91

Patterns:

Lactam

Detail

Select ID 139 DB Docking_panel_21

OSA_Lib_249

ID 139

C[NH+](C)[C@@]12CCN(C(=O)CC[NH+]3CCCCC3)[C@@H]([C@@H](c3ccccc3)C1)[C@H](c1ccccc1)C2

Formula: C30H43N3O+2

MW: 461.69 | LogP: 2.29

TPSA: 29.19

Patterns:

Lactam

Detail

Select ID 146 DB Docking_panel_21

OHD_TB2020_11

ID 146

COc1ccc2[nH]cc(CCN3CC[C@H](N(C)Cc4cc(Cl)cc(Cl)c4)[C@H]([C@@H](C)O)C3=O)c2c1

Formula: C26H31Cl2N3O3

MW: 504.46 | LogP: 4.76

TPSA: 68.80

Patterns:

Lactam

Detail

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