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Regex Pattern / motif 87 results

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87 results for Pattern / motif query

Cards

Pattern / motif 87 results DB fairmol

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Query interpretation

Pattern registry Vnos: dienophile Dienophile

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:

Dienophile

Detail

Select ID 230 DB fairmol

TC354

ID 230

CN1/C(=C/C=C2\CCCC(/C=C/C3=[N+](C)c4ccccc4C3(C)C)=C2NCCc2ccc([NH3+])cc2)C(C)(C)c2ccccc21

Formula: C40H48N4+2

MW: 584.85 | LogP: 7.63

TPSA: 45.92

Patterns:

Dienophile

Detail

Select ID 242 DB fairmol

OSA_Lib_314

ID 242

CC1(C)C=C(N2CCCC2)C=CN1CC(=O)N1C[C@H]2[C@@H](c3ccccc3)C[C@]([NH+]3CCCC3)(C[C@H]2c2ccccc2)C1

Formula: C37H49N4O+

MW: 565.83 | LogP: 4.81

TPSA: 31.23

Patterns:

Dienophile

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:

Dienophile

Detail

Select ID 300 DB fairmol

OSA_Lib_311

ID 300

CC1(C)C=C(N2CCCCC2)C=CN1Cc1ccc(C(=O)N2C[C@H]3[C@@H](c4ccccc4)C[C@]([NH+]4CCCC4)(C[C@@H]3c3ccccc3)C2)cc1

Formula: C44H55N4O+

MW: 655.95 | LogP: 7.02

TPSA: 31.23

Patterns:

Dienophile

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:

Dienophile

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:

Dienophile

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:

Dienophile

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:

Dienophile

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:

Dienophile

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:

Dienophile

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:

Dienophile

Detail

Select ID 826 DB fairmol

OHD_TB2021_102

ID 826

CC1(C)C=C(N2CCCC2)C=CN1CCCNc1cc[nH+]c2cc(Cl)ccc12

Formula: C23H30ClN4+

MW: 397.97 | LogP: 4.70

TPSA: 32.65

Patterns:

Dienophile

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:

Dienophile

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:

Dienophile

Detail

Select ID 1097 DB fairmol

Z56566324

ID 1097

O=S(=O)(/N=C1/C=CC=C/C1=C(/O)Nc1nc(-c2ccccc2)cs1)c1ccc(F)cc1

Formula: C22H16FN3O3S2

MW: 453.52 | LogP: 5.09

TPSA: 91.65

Patterns:

Dienophile

Detail

Select ID 1150 DB fairmol

OSA_Lib_313

ID 1150

CC1(C)C=C(N2CCCCC2)C=CN1CC(=O)N1C[C@@H]2[C@@H](c3ccccc3)C[C@@]([NH+]3CCCC3)(C[C@H]2c2ccccc2)C1

Formula: C38H51N4O+

MW: 579.85 | LogP: 5.20

TPSA: 31.23

Patterns:

Dienophile

Detail

Select ID 1232 DB fairmol

OHD_TC1_95

ID 1232

CC(C)=CC1=C(OC(=O)CCCc2cn(-c3ccccc3)nn2)C(=O)c2ccccc2C1=O

Formula: C26H23N3O4

MW: 441.49 | LogP: 4.43

TPSA: 91.15

Patterns:

Dienophile

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:

Dienophile

Detail

Select ID 1346 DB fairmol

OHD_Leishmania_230

ID 1346

O=[N+](O)c1c(CS(=O)(=O)c2ccc(OC(F)(F)F)cc2)nc2c(S[C@@H]3C=CC(Cl)=CC3)cc(Cl)cn12

Formula: C21H15Cl2F3N3O5S2+

MW: 581.40 | LogP: 6.20

TPSA: 100.98

Patterns:

Dienophile

Detail

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