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Regex Pattern / motif 173 results

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173 results for Pattern / motif query

Cards

Pattern / motif 173 results DB fairmol

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Query interpretation

Pattern registry Vnos: acrylamide Acrylamide

Select ID 32 DB fairmol

KB_chagas_102

ID 32

Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)/C=C\c1sc2ccccc2c1Cl

Formula: C22H24ClN3O3S2

MW: 478.04 | LogP: 4.40

TPSA: 72.27

Patterns:

Acrylamide

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:

Acrylamide

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:

Acrylamide

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:

Acrylamide

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:

Acrylamide

Detail

Select ID 420 DB fairmol

Z46080221

ID 420

N#C/C(=C/c1ccc(-c2ccccc2Cl)o1)C(=O)Nc1cccc2ncccc12

Formula: C23H14ClN3O2

MW: 399.84 | LogP: 5.69

TPSA: 78.92

Patterns:

Acrylamide

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:

Acrylamide

Detail

Select ID 448 DB fairmol

OHD_Leishmania_493

ID 448

N#CC1=CC2(c3ccccc3Nc3ccccc32)N(/N=C/c2ccc(F)cc2)C1=O

Formula: C24H15FN4O

MW: 394.41 | LogP: 4.45

TPSA: 68.49

Patterns:

Acrylamide

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:

Acrylamide

Detail

Select ID 452 DB fairmol

OHD_Leishmania_494

ID 452

N#CC1=CC2(c3ccccc3Nc3ccccc32)N(/N=C\c2ccc(Cl)cc2Cl)C1=O

Formula: C24H14Cl2N4O

MW: 445.31 | LogP: 5.62

TPSA: 68.49

Patterns:

Acrylamide

Detail

Select ID 475 DB fairmol

OHD_Leishmania_491

ID 475

N#CC1=CC2(c3ccccc3Nc3ccccc32)N(/N=C/c2ccccc2)C1=O

Formula: C24H16N4O

MW: 376.42 | LogP: 4.31

TPSA: 68.49

Patterns:

Acrylamide

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:

Acrylamide

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:

Acrylamide

Detail

Select ID 560 DB fairmol

Z56799026

ID 560

N#C/C(=C/c1ccc(-c2ccccc2[N+](=O)O)o1)C(=O)Nc1nc(-c2cccs2)cs1

Formula: C21H13N4O4S2+

MW: 449.49 | LogP: 5.48

TPSA: 119.23

Patterns:

Acrylamide

Detail

Select ID 568 DB fairmol

Z30380158

ID 568

CCN(CC(=O)NCc1ccc(F)cc1)C(=O)/C=C\c1ccc(OC)c(S(=O)(=O)NC(C)C)c1

Formula: C24H30FN3O5S

MW: 491.59 | LogP: 2.70

TPSA: 104.81

Patterns:

Acrylamide

Detail

Select ID 622 DB fairmol

OHD_Leishmania_497

ID 622

N#CC1=CC2(c3ccccc3Nc3ccccc32)N(/N=C\c2ccccc2[N+](=O)O)C1=O

Formula: C24H16N5O3+

MW: 422.42 | LogP: 4.11

TPSA: 108.80

Patterns:

Acrylamide

Detail

Select ID 700 DB fairmol

MK3

ID 700

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:

Acrylamide

Detail

Select ID 715 DB fairmol

Z27116094

ID 715

CSc1cccc(N2C[C@@H](C(=O)NCCN3C(=O)S/C(=C\c4cccnc4)C3=O)CC2=O)c1

Formula: C23H22N4O4S2

MW: 482.59 | LogP: 3.01

TPSA: 99.68

Patterns:

Acrylamide

Detail

Select ID 755 DB fairmol

Z2757555337

ID 755

N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)C(=O)Nc1cccc2ncccc12

Formula: C23H13Cl2N3O2

MW: 434.28 | LogP: 6.35

TPSA: 78.92

Patterns:

Acrylamide

Detail

Select ID 758 DB fairmol

MK2

ID 758

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

Formula: C25H30N2O6

MW: 454.52 | LogP: 2.76

TPSA: 128.12

Patterns:

Acrylamide

Detail

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