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Regex Pattern / motif 412 results

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412 results for Pattern / motif query

Cards

Pattern / motif 412 results DB Docking_panel_21

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Query interpretation

Pattern registry Vnos: ester Ester

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:

Ester

Detail

Select ID 33 DB Docking_panel_21

Z25378902

ID 33

CCc1ccc(Nc2nnc(S[C@@H]3CCOC3=O)s2)cc1

Formula: C14H15N3O2S2

MW: 321.43 | LogP: 3.25

TPSA: 64.11

Patterns:

Ester

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:

Ester

Detail

Select ID 168 DB Docking_panel_21

OSA_Lib_198

ID 168

C[NH+](C)[C@]12C[C@H](OC(=O)CN3CCCC3)[C@H]([C@@H](c3ccccc3)C1)[C@@H](c1ccccc1)C2

Formula: C28H37N2O2+

MW: 433.62 | LogP: 3.26

TPSA: 33.98

Patterns:

Ester

Detail

Select ID 174 DB Docking_panel_21

OSA_Lib_197

ID 174

C[NH+](C)[C@@]12C[C@H](c3ccccc3)[C@@H]([C@H](OC(=O)CN3CCCC3)C1)[C@H](c1ccccc1)C2

Formula: C28H37N2O2+

MW: 433.62 | LogP: 3.26

TPSA: 33.98

Patterns:

Ester

Detail

Select ID 178 DB Docking_panel_21

Z25276890

ID 178

O=C(Cc1coc2cc3c(cc12)CCC3)OCc1cc(=O)n2c(n1)sc1ccccc12

Formula: C24H18N2O4S

MW: 430.49 | LogP: 4.43

TPSA: 73.81

Patterns:

Ester

Detail

Select ID 183 DB Docking_panel_21

OSA_Lib_222

ID 183

CN1CCN(CCC(=O)O[C@H]2C[C@]3([NH+](C)C)C[C@H](c4ccccc4)[C@H]2[C@H](c2ccccc2)C3)CC1

Formula: C30H42N3O2+

MW: 476.69 | LogP: 2.80

TPSA: 37.22

Patterns:

Ester

Detail

Select ID 186 DB Docking_panel_21

OSA_Lib_193

ID 186

O=C(C[NH+]1CCCC1)O[C@@H]1C[C@@]2([NH+]3CCCCC3)C[C@H](c3ccccc3)[C@@H]1[C@H](c1ccccc1)C2

Formula: C31H42N2O2+2

MW: 474.69 | LogP: 2.77

TPSA: 35.18

Patterns:

Ester

Detail

Select ID 187 DB Docking_panel_21

Z16286645

ID 187

Cc1noc(C)c1COc1ccc(C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)cc1

Formula: C23H21N3O6

MW: 435.44 | LogP: 3.01

TPSA: 110.97

Patterns:

Ester

Detail

Select ID 203 DB Docking_panel_21

OSA_Lib_53

ID 203

CN1CCN(CC(=O)O[C@H]2C[C@]3([NH+](C)C)C[C@H](c4ccccc4)[C@H]2[C@H](c2ccccc2)C3)CC1

Formula: C29H40N3O2+

MW: 462.66 | LogP: 2.41

TPSA: 37.22

Patterns:

Ester

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:

Ester

Detail

Select ID 215 DB Docking_panel_21

OSA_Lib_217

ID 215

C[NH+]1CCN(CCCC(=O)O[C@@H]2C[C@]3([NH+]4CCCCC4)C[C@@H](c4ccccc4)[C@H]2[C@H](c2ccccc2)C3)CC1

Formula: C34H49N3O2+2

MW: 531.79 | LogP: 2.70

TPSA: 38.42

Patterns:

Ester

Detail

Select ID 219 DB Docking_panel_21

OSA_Lib_108

ID 219

O=C(CN1CCCC1)O[C@@H]1C[C@@]2([NH+]3CCCC3)C[C@H](c3ccccc3)[C@@H]1[C@H](c1ccccc1)C2

Formula: C30H39N2O2+

MW: 459.65 | LogP: 3.79

TPSA: 33.98

Patterns:

Ester

Detail

Select ID 226 DB Docking_panel_21

OSA_Lib_191

ID 226

O=C(C[NH+]1CCCCC1)O[C@@H]1C[C@@]2([NH+]3CCCC3)C[C@H](c3ccccc3)[C@@H]1[C@H](c1ccccc1)C2

Formula: C31H42N2O2+2

MW: 474.69 | LogP: 2.77

TPSA: 35.18

Patterns:

Ester

Detail

Select ID 231 DB Docking_panel_21

OSA_Lib_101

ID 231

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

Formula: C33H36NO2+

MW: 478.66 | LogP: 5.41

TPSA: 30.74

Patterns:

Ester

Detail

Select ID 247 DB Docking_panel_21

OHD_Leishmania_440

ID 247

CCc1[nH+]cn(CC(c2c[nH]c3ccc(C)cc23)c2c[nH]c3ccc(C)cc23)c1C(=O)OC

Formula: C27H29N4O2+

MW: 441.56 | LogP: 5.06

TPSA: 76.95

Patterns:

Ester

Detail

Select ID 260 DB Docking_panel_21

OHD_Leishmania_255

ID 260

COc1ccc(OC)c(C(=O)OCCNc2cc[nH+]c3cc(Cl)ccc23)c1

Formula: C20H20ClN2O4+

MW: 387.84 | LogP: 3.59

TPSA: 70.93

Patterns:

Ester

Detail

Select ID 261 DB Docking_panel_21

OSA_Lib_83

ID 261

O=C(CCN1CCCC1)O[C@H]1C[C@]2([NH+]3CCCC3)C[C@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)C2

Formula: C31H41N2O2+

MW: 473.68 | LogP: 4.18

TPSA: 33.98

Patterns:

Ester

Detail

Select ID 264 DB Docking_panel_21

OSA_Lib_112

ID 264

O=C(C[NH+]1CCCCC1)O[C@@H]1C[C@]2([NH+]3CCCCC3)C[C@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)C2

Formula: C32H44N2O2+2

MW: 488.72 | LogP: 3.16

TPSA: 35.18

Patterns:

Ester

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:

Ester

Detail

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