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Regex Pattern / motif 198 results

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198 results for Pattern / motif query

Cards

Pattern / motif 198 results DB fairmol

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Query interpretation

Pattern registry Vnos: chalcone Chalcone

Select ID 8 DB fairmol

Z46109754

ID 8

Cc1cccc(/C=C\C(=O)c2ccc(NC3=[NH+]CCCS3)cc2)c1

Formula: C20H21N2OS+

MW: 337.47 | LogP: 2.88

TPSA: 43.07

Patterns:

Chalcone

Detail

Select ID 161 DB fairmol

Z44349777

ID 161

COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1OC

Formula: C18H17N3O5S

MW: 387.42 | LogP: 1.90

TPSA: 131.51

Patterns:

Chalcone

Detail

Select ID 163 DB fairmol

OHD_TbNat_97

ID 163

C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@@H](CC[C@H]4[C@@]5(C)C[C@@H](O)[C@H](OC(=O)/C=C/c6ccc(O)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12

Formula: C39H54O6

MW: 618.85 | LogP: 8.03

TPSA: 104.06

Patterns:

Chalcone

Detail

Select ID 176 DB fairmol

OSA_Lib_200

ID 176

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

Formula: C31H34NO2+

MW: 452.62 | LogP: 4.88

TPSA: 30.74

Patterns:

Chalcone

Detail

Select ID 180 DB fairmol

OSA_Lib_101

ID 180

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:

Chalcone

Detail

Select ID 189 DB fairmol

Z46589685

ID 189

O=C(/C=C\c1ccc(O)c(O)c1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1

Formula: C21H23NO5S

MW: 401.48 | LogP: 3.56

TPSA: 94.91

Patterns:

Chalcone

Detail

Select ID 192 DB fairmol

OHD_TC1_206

ID 192

O=C1C(=O)c2ccccc2C(O)=C1[C@@H](Sc1ccc(Cl)cc1)c1cn(-c2cc(Cl)cc(Cl)c2)nn1

Formula: C25H14Cl3N3O3S

MW: 542.83 | LogP: 6.80

TPSA: 85.08

Patterns:

Chalcone

Detail

Select ID 212 DB fairmol

Z57116466

ID 212

Cc1ccc2[nH]c(=O)c(C(=O)/C=C\c3ccccc3Cl)c(-c3ccccc3)c2c1

Formula: C25H18ClNO2

MW: 399.88 | LogP: 6.05

TPSA: 49.93

Patterns:

Chalcone

Detail

Select ID 277 DB fairmol

OHD_Leishmania_205

ID 277

COc1cc(OC)c(C(=O)/C=C/c2cccc(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)c2)c(OC)c1

Formula: C30H27NO6S

MW: 529.61 | LogP: 6.08

TPSA: 90.93

Patterns:

Chalcone

Detail

Select ID 279 DB fairmol

OSA_Lib_199

ID 279

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

Formula: C34H38NO2+

MW: 492.68 | LogP: 5.80

TPSA: 30.74

Patterns:

Chalcone

Detail

Select ID 284 DB fairmol

MK3

ID 284

Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NCC[NH2+]CCNC(=O)/C=C/c1ccc(O)c(O)c1)O2

Formula: C27H36N3O6+

MW: 498.60 | LogP: 1.32

TPSA: 144.73

Patterns:

Chalcone

Detail

Select ID 305 DB fairmol

Z46041679

ID 305

COc1cc(/C=C2/CCC/C(=C\c3ccc(O)c(OC)c3)C2=O)ccc1O

Formula: C22H22O5

MW: 366.41 | LogP: 4.34

TPSA: 75.99

Patterns:

Chalcone

Detail

Select ID 349 DB fairmol

OHD_Leishmania_372

ID 349

O=C1N=C(Nc2cnc3ccccc3c2)S/C1=C\c1cccc2c1C[NH+]=C2

Formula: C21H15N4OS+

MW: 371.45 | LogP: 2.33

TPSA: 68.32

Patterns:

Chalcone

Detail

Select ID 365 DB fairmol

MK16

ID 365

Cc1c(C)c2c(c(C)c1O)CC[C@](C)(CNC(=O)/C=C/c1ccc(O)c(O)c1)O2

Formula: C23H27NO5

MW: 397.47 | LogP: 3.64

TPSA: 99.02

Patterns:

Chalcone

Detail

Select ID 383 DB fairmol

OHD_Schistosoma_119

ID 383

O=C(/C=C/c1ccccc1CSc1nc(Cc2ccccc2)cc(=O)[nH]1)NO

Formula: C21H19N3O3S

MW: 393.47 | LogP: 3.17

TPSA: 95.08

Patterns:

Chalcone

Detail

Select ID 447 DB fairmol

MK15

ID 447

Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NCC[NH+]1CCN(C(=O)/C=C/c3ccc(O)c(O)c3)CC1)O2

Formula: C29H38N3O6+

MW: 524.64 | LogP: 1.37

TPSA: 123.77

Patterns:

Chalcone

Detail

Select ID 451 DB fairmol

Z27739534

ID 451

O=C(/C=C\c1cccc(F)c1)Nc1ccc(S(=O)(=O)/N=c2/nccc[nH]2)cc1

Formula: C19H15FN4O3S

MW: 398.42 | LogP: 2.49

TPSA: 104.28

Patterns:

Chalcone

Detail

Select ID 480 DB fairmol

Z46089428

ID 480

C[C@H](NC(=O)/C(C#N)=C\c1cccc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)c1)c1ccccc1

Formula: C30H26N4O2

MW: 474.56 | LogP: 5.26

TPSA: 105.78

Patterns:

Chalcone

Detail

Select ID 494 DB fairmol

OHD_TbNat_130

ID 494

C[C@@H]1O[C@@H](O[C@@H]2[C@@H](OC(=O)[C@H]3CC[C@@H]4[C@H](C3)O[C@]3(C[C@@H](OC(=O)/C=C/c5ccccc5)[C@@H](C)CO3)[C@]43CO3)O[C@@H](CO)[C@@H](O)[C@H]2O)[C@@H](O)[C@@H](O)[C@H]1O

Formula: C36H48O16

MW: 736.76 | LogP: -0.86

TPSA: 232.66

Patterns:

Chalcone

Detail

Select ID 533 DB fairmol

Z104500108

ID 533

COc1cc(/C=C/C(=O)/C=C(O)/C=C/c2ccc(O)c(OC)c2)ccc1O

Formula: C21H20O6

MW: 368.39 | LogP: 3.85

TPSA: 96.22

Patterns:

Chalcone

Detail

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