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Regex Pattern / motif 135 results

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135 results for Pattern / motif query

Cards

Pattern / motif 135 results DB fairmol

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Query interpretation

Pattern registry Vnos: enol_ether Enol ether

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:

Enol ether

Detail

Select ID 197 DB fairmol

Z29294093

ID 197

N/C(O)=C1\C=C(c2ccccc2)S\C1=N/C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1

Formula: C21H21N3O5S3

MW: 491.62 | LogP: 2.75

TPSA: 122.29

Patterns:

Enol ether

Detail

Select ID 254 DB fairmol

OHD_Leishmania_313

ID 254

O=C(/C=C(/CCCO)NCC/N=C(/C=C(/O)c1ccc2c(c1)Cc1ccccc1-2)CCCO)c1ccc2c(c1)Cc1ccccc1-2

Formula: C40H40N2O4

MW: 612.77 | LogP: 7.07

TPSA: 102.15

Patterns:

Enol ether

Detail

Select ID 280 DB fairmol

Z56569637

ID 280

O=S(=O)(/N=C1\C=CC=C\C1=C(/O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)c1ccc(F)cc1

Formula: C24H23ClFN3O5S2

MW: 552.05 | LogP: 4.79

TPSA: 116.14

Patterns:

Enol ether

Detail

Select ID 381 DB fairmol

KB_chagas_5

ID 381

CC1=Nc2c(C(=O)Nc3ccccc3)cnn2[C@@H](c2cc[nH+]cc2)/C1=C(\O)Nc1ccc(Cl)cc1

Formula: C26H22ClN6O2+

MW: 485.96 | LogP: 5.18

TPSA: 105.68

Patterns:

Enol ether

Detail

Select ID 500 DB fairmol

Z56871509

ID 500

O=S(=O)(N=C1C=CC(=C(O)Nc2nc3ccc(SC(F)F)cc3s2)C=C1)c1ccc(F)c(F)c1

Formula: C21H13F4N3O3S3

MW: 527.55 | LogP: 6.03

TPSA: 91.65

Patterns:

Enol ether

Detail

Select ID 516 DB fairmol

Z56763036

ID 516

C[C@H]1CCC[C@@H](O)CCCCCC2=CC(=O)C=C(O)/C2=C(\O)O1

Formula: C18H26O5

MW: 322.40 | LogP: 3.61

TPSA: 86.99

Patterns:

Enol ether

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:

Enol ether

Detail

Select ID 590 DB fairmol

OHD_TbNat_105

ID 590

CC1(C)C=CC2=C(O1)C(=O)c1c(O)ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1C2=O

Formula: C21H22O10

MW: 434.40 | LogP: -0.43

TPSA: 162.98

Patterns:

Enol ether

Detail

Select ID 591 DB fairmol

OHD_Leishmania_45

ID 591

CC(=O)O[C@H]1[C@@H](O[C@H]2[C@@H]3C=CO[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@@H]4O)[C@@H]3[C@@]3(CO)O[C@@H]23)O[C@H](C)[C@H](OC(=O)/C=C\c2ccccc2)[C@H]1OC(=O)/C=C\c1ccccc1

Formula: C41H46O17

MW: 810.80 | LogP: 0.36

TPSA: 238.73

Patterns:

Enol ether

Detail

Select ID 671 DB fairmol

Z56778174

ID 671

COc1ccc(O)c(/C=N\N/C(O)=C2\Sc3ccccc3C2=O)c1

Formula: C17H14N2O4S

MW: 342.38 | LogP: 3.04

TPSA: 91.15

Patterns:

Enol ether

Detail

Select ID 706 DB fairmol

ulfkktlib_3721

ID 706

C[N+](C)=CC1=C(O)C(/C=[NH+]\CC/N=C\[C@@H]2C(O)=C(C=[N+](C)C)c3ccccc32)c2ccccc21

Formula: C28H33N4O2+3

MW: 457.60 | LogP: 2.03

TPSA: 72.81

Patterns:

Enol ether

Detail

Select ID 724 DB fairmol

Z56575886

ID 724

O=S(=O)(/N=C1\C=CC=C\C1=C(/O)Nc1ccccc1Cc1ccccc1)c1ccc(Cl)s1

Formula: C24H19ClN2O3S2

MW: 483.01 | LogP: 6.13

TPSA: 78.76

Patterns:

Enol ether

Detail

Select ID 726 DB fairmol

ulfkktlib_1378

ID 726

O=C(NCC(=O)N1CC(O)=C(/C=N/Nc2ccc(Cl)nn2)C1=O)OCc1ccccc1

Formula: C19H17ClN6O5

MW: 444.84 | LogP: 1.63

TPSA: 146.11

Patterns:

Enol ether

Detail

Select ID 786 DB fairmol

Z44856621

ID 786

Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1/C=N\NC(O)=C1C=CC(=NS(=O)(=O)c2cccs2)C=C1

Formula: C22H17Cl2N5O3S2

MW: 534.45 | LogP: 5.20

TPSA: 108.94

Patterns:

Enol ether

Detail

Select ID 814 DB fairmol

OHD_TC1_12

ID 814

CC1=C(C(=O)OCCc2ccccc2)[C@@H](c2ccncc2)C2=C(O)C[C@@H](c3ccc(Br)cc3)C=C2N1

Formula: C30H27BrN2O3

MW: 543.46 | LogP: 6.47

TPSA: 71.45

Patterns:

Enol ether

Detail

Select ID 870 DB fairmol

Z56789391

ID 870

O=C1C=C(O)C=C/C1=C(\O)N/N=C/c1sc2ccccc2c1O

Formula: C16H12N2O4S

MW: 328.35 | LogP: 2.88

TPSA: 102.15

Patterns:

Enol ether

Detail

Select ID 888 DB fairmol

Z44856623

ID 888

Cc1nn(-c2ccccc2)c(Cl)c1/C=N\NC(O)=C1C=CC(=NS(=O)(=O)c2cccs2)C=C1

Formula: C22H18ClN5O3S2

MW: 500.01 | LogP: 4.54

TPSA: 108.94

Patterns:

Enol ether

Detail

Select ID 927 DB fairmol

Z728800606

ID 927

CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3[C@H](O)[C@H]12

Formula: C22H24N2O9

MW: 460.44 | LogP: -1.24

TPSA: 201.85

Patterns:

Enol ether

Detail

Select ID 1059 DB fairmol

ulfkktlib_3721

ID 1059

CN(C)/C=C1\C(=O)[C@H](/C=N\CC/[NH+]=C\[C@H]2C(O)=C(C=[N+](C)C)c3ccccc32)c2ccccc21

Formula: C28H32N4O2+2

MW: 456.59 | LogP: 1.89

TPSA: 69.88

Patterns:

Enol ether

Detail

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