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Regex Pattern / motif 195 results

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195 results for Pattern / motif query

Cards

Pattern / motif 195 results DB fairmol

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Query interpretation

Pattern registry Vnos: aza_michael Aza-Michael acceptor

Select ID 127 DB fairmol

OHD_TB2019_4

ID 127

O=C1Nc2cc(Br)ccc2/C1=C1/Nc2ccccc2/C1=N\OCC[NH+]1CCN(C2CCCC2)CC1

Formula: C27H31BrN5O2+

MW: 537.48 | LogP: 3.10

TPSA: 70.40

Patterns:

Aza-Michael acceptor

Detail

Select ID 136 DB fairmol

Z55547277

ID 136

COc1cccc(CN2CC(=O)C(c3nc(-c4ccc(Cl)cc4)cs3)=C2N)c1

Formula: C21H18ClN3O2S

MW: 411.91 | LogP: 4.18

TPSA: 68.45

Patterns:

Aza-Michael acceptor

Detail

Select ID 168 DB fairmol

ulfkktlib_1233

ID 168

Cc1cc(C)nc(/N=C/c2nc(/C(=C/c3ccccc3)NC(=O)c3ccccc3)oc2O)n1

Formula: C25H21N5O3

MW: 439.48 | LogP: 4.47

TPSA: 113.50

Patterns:

Aza-Michael acceptor

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:

Aza-Michael acceptor

Detail

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:

Aza-Michael acceptor

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:

Aza-Michael acceptor

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:

Aza-Michael acceptor

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:

Aza-Michael acceptor

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:

Aza-Michael acceptor

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:

Aza-Michael acceptor

Detail

Select ID 341 DB fairmol

OHD_TB2019_1

ID 341

O=C1Nc2cc(Br)ccc2/C1=C1/Nc2ccccc2/C1=N\OC[C@@H](O)CO

Formula: C19H16BrN3O4

MW: 430.26 | LogP: 2.31

TPSA: 103.18

Patterns:

Aza-Michael acceptor

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:

Aza-Michael acceptor

Detail

Select ID 390 DB fairmol

OHD_Leishmania_29

ID 390

C/C(=C(/CCOP(=O)(O)O)SC(=O)c1ccccc1)N(C=O)Cc1cnc(C)nc1N

Formula: C19H23N4O6PS

MW: 466.46 | LogP: 2.63

TPSA: 155.94

Patterns:

Aza-Michael acceptor

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:

Aza-Michael acceptor

Detail

Select ID 528 DB fairmol

Z31287542

ID 528

O=C1/C(=C/N/N=C(\O)[C@H]2COc3ccccc3O2)c2ccccc2C(=O)N1c1ccccc1Cl

Formula: C25H18ClN3O5

MW: 475.89 | LogP: 4.17

TPSA: 100.46

Patterns:

Aza-Michael acceptor

Detail

Select ID 556 DB fairmol

OHD_TB2019_3

ID 556

O=C1Nc2cc(Br)ccc2/C1=C1/Nc2ccccc2/C1=N\OCCN1CC[NH2+]CC1

Formula: C22H23BrN5O2+

MW: 469.36 | LogP: 1.84

TPSA: 82.57

Patterns:

Aza-Michael acceptor

Detail

Select ID 599 DB fairmol

OHD_TB2019_2

ID 599

O=C1Nc2cc(Br)ccc2/C1=C1/Nc2ccccc2/C1=N\OCCN1CC[NH+](CCOCCO)CC1

Formula: C26H31BrN5O4+

MW: 557.47 | LogP: 1.17

TPSA: 99.86

Patterns:

Aza-Michael acceptor

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:

Aza-Michael acceptor

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:

Aza-Michael acceptor

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:

Aza-Michael acceptor

Detail

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