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Regex Pattern / motif 451 results

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451 results for Pattern / motif query

Cards

Pattern / motif 451 results DB Docking_panel_21

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Query interpretation

Pattern registry Vnos: alcohol Alcohol

Select ID 43 DB Docking_panel_21

OHD_TbNat_135

ID 43

COc1cc2ccc(=O)oc2c(OC)c1OC[C@H]1C(C)=CC[C@H]2C(C)(C)[C@@H](O)CC[C@@]12C

Formula: C26H34O6

MW: 442.55 | LogP: 4.96

TPSA: 78.13

Patterns:

Alcohol

Detail

Select ID 56 DB Docking_panel_21

TC64

ID 56

C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)C#CCc1ccccc1

Formula: C29H36O2

MW: 416.61 | LogP: 5.74

TPSA: 37.30

Patterns:

Alcohol

Detail

Select ID 73 DB Docking_panel_21

OHD_TC2_88

ID 73

C[C@H](NCc1cn(Cc2ccccc2)nn1)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

Formula: C31H44N4O

MW: 488.72 | LogP: 5.74

TPSA: 62.97

Patterns:

Alcohol

Detail

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:

Alcohol

Detail

Select ID 108 DB Docking_panel_21

KB_Leish_1

ID 108

COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2ccc(Cl)cc2Cl)cc1

Formula: C24H29Cl2N2O3+

MW: 464.41 | LogP: 3.89

TPSA: 63.00

Patterns:

Alcohol

Detail

Select ID 117 DB Docking_panel_21

TC165

ID 117

COc1ccc(C#CC(=O)[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)c(C)c1

Formula: C30H38O3

MW: 446.63 | LogP: 5.86

TPSA: 46.53

Patterns:

Alcohol

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:

Alcohol

Detail

Select ID 120 DB Docking_panel_21

TC85

ID 120

Cn1cc(C[C@@H](O)c2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c[nH+]2)c2ccccc21

Formula: C33H30N3O+

MW: 484.62 | LogP: 5.91

TPSA: 44.23

Patterns:

Alcohol

Detail

Select ID 125 DB Docking_panel_21

TC154

ID 125

C#Cc1cccc(C#CC(=O)[C@H]2CC[C@@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)c1

Formula: C30H34O2

MW: 426.60 | LogP: 5.53

TPSA: 37.30

Patterns:

Alcohol

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:

Alcohol

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:

Alcohol

Detail

Select ID 155 DB Docking_panel_21

OHD_Leishmania_292

ID 155

O[C@H](COc1ccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1)C[NH+]1CCCC1

Formula: C28H28ClN2O2+

MW: 460.00 | LogP: 4.64

TPSA: 46.79

Patterns:

Alcohol

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:

Alcohol

Detail

Select ID 213 DB Docking_panel_21

TC86

ID 213

Cn1cc(C(C)(C)[C@H](O)c2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)c2ccccc21

Formula: C35H33N3O

MW: 511.67 | LogP: 7.23

TPSA: 42.98

Patterns:

Alcohol

Detail

Select ID 224 DB Docking_panel_21

OHD_Leishmania_356

ID 224

O=C(N/N=C1\C(=O)N(C[C@H](O)COc2cc(=O)oc3ccccc23)c2ccccc21)c1ccncc1

Formula: C26H20N4O6

MW: 484.47 | LogP: 2.11

TPSA: 134.33

Patterns:

Alcohol

Detail

Select ID 227 DB Docking_panel_21

KB_HAT_8

ID 227

O=c1ccc2ccc(F)c3c2n1C[C@H]3C[N@H+]1CC[N@@H+](C[C@H](O)c2cc3c(cn2)OCS3)CC1

Formula: C24H27FN4O3S+2

MW: 470.57 | LogP: -0.41

TPSA: 73.23

Patterns:

Alcohol

Detail

Select ID 297 DB Docking_panel_21

OSA_Lib_82

ID 297

O=C(CCN1CCC(O)CC1)O[C@@H]1C[C@]2([NH+]3CCCC3)C[C@H](c3ccccc3)[C@H]1[C@@H](c1ccccc1)C2

Formula: C32H43N2O3+

MW: 503.71 | LogP: 3.54

TPSA: 54.21

Patterns:

Alcohol

Detail

Select ID 308 DB Docking_panel_21

OSA_Lib_77

ID 308

C[NH+](C)[C@]12C[C@H](OC(=O)CN3CCC(O)CC3)[C@H]([C@H](c3ccccc3)C1)[C@H](c1ccccc1)C2

Formula: C29H39N2O3+

MW: 463.64 | LogP: 2.62

TPSA: 54.21

Patterns:

Alcohol

Detail

Select ID 315 DB Docking_panel_21

OHD_MAC_49

ID 315

OCCCOc1ccc(Nc2ncnc3c(N/N=C/c4ccc(O)c(O)c4)ncnc23)cc1

Formula: C22H21N7O4

MW: 447.46 | LogP: 2.78

TPSA: 157.90

Patterns:

Alcohol

Detail

Select ID 327 DB Docking_panel_21

OSA_Lib_81

ID 327

O=C(CC[N@H+]1CC[C@H](O)CC1)O[C@H]1C[C@]2([NH+]3CCCCC3)C[C@@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)C2

Formula: C33H46N2O3+2

MW: 518.74 | LogP: 2.52

TPSA: 55.41

Patterns:

Alcohol

Detail

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