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Regex Pattern / motif 58 results

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58 results for Pattern / motif query

Cards

Pattern / motif 58 results DB fairmol

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Query interpretation

Pattern registry Vnos: lactone Lactone

Select ID 208 DB fairmol

ulfkktlib_903

ID 208

O=C(CNC(=O)c1ccccc1)N/C=C1N=C(/C(=C/c2ccccc2)NC(=O)c2ccccc2)OC/1=O

Formula: C28H22N4O5

MW: 494.51 | LogP: 2.80

TPSA: 125.96

Patterns:

Lactone

Detail

Select ID 382 DB fairmol

OHD_Leishmania_329

ID 382

CC1=C(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1

Formula: C44H56O6Si

MW: 709.01 | LogP: 6.94

TPSA: 85.36

Patterns:

Lactone

Detail

Select ID 1269 DB fairmol

OHD_Leishmania_403

ID 1269

CC1=C[C@@](O)(C[C@@H](C)[C@]2(C)CC[C@H]3C4=CC[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)C4=CC[C@@]32C)OC1=O

Formula: C30H44O4

MW: 468.68 | LogP: 6.09

TPSA: 66.76

Patterns:

Lactone

Detail

Select ID 1349 DB fairmol

TC268

ID 1349

C[C@]12CC[C@H](O)CC1=C/C(=N/OCC(=O)NCCOCCOCCNC(=S)Nc1ccc3c(c1)C(=O)OC31c3ccc(O)cc3Oc3cc(O)ccc31)[C@H]1[C@H]3CC[C@@]4(O[C@@H]4CO)[C@@]3(C)CC[C@@H]12

Formula: C50H58N4O12S

MW: 939.10 | LogP: 5.54

TPSA: 222.19

Patterns:

Lactone

Detail

Select ID 1472 DB fairmol

Z57201291

ID 1472

O=C1O[C@@H]([C@H](O)CO)C(O)=C1O

Formula: C6H8O6

MW: 176.12 | LogP: -1.41

TPSA: 107.22

Patterns:

Lactone

Detail

Select ID 1797 DB fairmol

Z19245134

ID 1797

O=C(O[C@@H]1CCOC1=O)c1ccc(-c2nc3ccccc3s2)s1

Formula: C16H11NO4S2

MW: 345.40 | LogP: 3.50

TPSA: 65.49

Patterns:

Lactone

Detail

Select ID 1859 DB fairmol

KB_HAT_184

ID 1859

O=C1OCc2ccc(Nc3nccc(-c4cnn5ncccc45)n3)cc21

Formula: C18H12N6O2

MW: 344.33 | LogP: 2.60

TPSA: 94.30

Patterns:

Lactone

Detail

Select ID 1995 DB fairmol

Z19086763

ID 1995

Cc1ccc(Nc2nnc(S[C@@H]3CCOC3=O)s2)cc1

Formula: C13H13N3O2S2

MW: 307.40 | LogP: 3.00

TPSA: 64.11

Patterns:

Lactone

Detail

Select ID 2019 DB fairmol

Z20272268

ID 2019

Cc1ccc(Nc2nnc(S[C@@H]3CCOC3=O)s2)c(C)c1

Formula: C14H15N3O2S2

MW: 321.43 | LogP: 3.31

TPSA: 64.11

Patterns:

Lactone

Detail

Select ID 2032 DB fairmol

Z19005866

ID 2032

Cc1cccc(Nc2nnc(S[C@@H]3CCOC3=O)s2)c1C

Formula: C14H15N3O2S2

MW: 321.43 | LogP: 3.31

TPSA: 64.11

Patterns:

Lactone

Detail

Select ID 2124 DB fairmol

Z25378902

ID 2124

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

Formula: C14H15N3O2S2

MW: 321.43 | LogP: 3.25

TPSA: 64.11

Patterns:

Lactone

Detail

Select ID 2202 DB fairmol

Z19114457

ID 2202

CC(C)c1ccc(Nc2nnc(S[C@@H]3CCOC3=O)s2)cc1

Formula: C15H17N3O2S2

MW: 335.45 | LogP: 3.81

TPSA: 64.11

Patterns:

Lactone

Detail

Select ID 2356 DB fairmol

ulfkktlib_2059

ID 2356

O=C(N[C@@H]1COC(=O)/C1=C\Nc1ccc(O)cc1)OCc1ccccc1

Formula: C19H18N2O5

MW: 354.36 | LogP: 2.54

TPSA: 96.89

Patterns:

Lactone

Detail

Select ID 2390 DB fairmol

ulfkktlib_937

ID 2390

C[C@H](NC(=O)OCc1ccccc1)C(=O)N/C=C1\N=C(c2ccccc2)OC1=O

Formula: C21H19N3O5

MW: 393.40 | LogP: 2.26

TPSA: 106.09

Patterns:

Lactone

Detail

Select ID 2727 DB fairmol

ulfkktlib_2067

ID 2727

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:

Lactone

Detail

Select ID 2735 DB fairmol

ulfkktlib_2060

ID 2735

Cc1ccccc1N/C=C1\C(=O)OC[C@H]1NC(=O)OCc1ccccc1

Formula: C20H20N2O4

MW: 352.39 | LogP: 3.14

TPSA: 76.66

Patterns:

Lactone

Detail

Select ID 3365 DB fairmol

Z57201291

ID 3365

O=C1O[C@@H]([C@@H](O)CO)C(O)=C1O

Formula: C6H8O6

MW: 176.12 | LogP: -1.41

TPSA: 107.22

Patterns:

Lactone

Detail

Select ID 3438 DB fairmol

Z31309289

ID 3438

N#Cc1ccc(/C=C2/N=C(c3ccccc3)OC2=O)cc1

Formula: C17H10N2O2

MW: 274.28 | LogP: 2.90

TPSA: 62.45

Patterns:

Lactone

Detail

Select ID 3461 DB fairmol

ulfkktlib_911

ID 3461

NC(=O)CN/C=C1\CCC\C1=C1/N=C(c2ccccc2)OC1=O

Formula: C17H17N3O3

MW: 311.34 | LogP: 1.39

TPSA: 93.78

Patterns:

Lactone

Detail

Select ID 3623 DB fairmol

OHD_TC1_39

ID 3623

O=C1Oc2ccccc2[C@H]2C[C@@H](/C=C/c3ccccc3)[C@H](c3ccccc3)[C@@H]12

Formula: C26H22O2

MW: 366.46 | LogP: 5.82

TPSA: 26.30

Patterns:

Lactone

Detail

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