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Regex Pattern / motif 39 results

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39 results for Pattern / motif query

Cards

Pattern / motif 39 results DB fairmol

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Query interpretation

Pattern registry Vnos: alpha_amino_acid α-Amino acid

Select ID 949 DB fairmol

Z1521553982

ID 949

CN(Cc1cnc2[nH+]c(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1

Formula: C20H23N8O5+

MW: 455.46 | LogP: -0.31

TPSA: 211.79

Patterns:

α-Amino acid

Detail

Select ID 1379 DB fairmol

NMT-TY0475

ID 1379

Nc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)NCC(=O)O)cc2)cc1

Formula: C14H15N3O6S2

MW: 385.42 | LogP: 0.43

TPSA: 155.66

Patterns:

α-Amino acid

Detail

Select ID 1449 DB fairmol

Z1501475005

ID 1449

Nc1nc(O)c2c(CCc3ccc(C(=O)N[C@H](CCC(=O)O)C(=O)O)cc3)c[nH]c2[nH+]1

Formula: C20H22N5O6+

MW: 428.43 | LogP: 0.50

TPSA: 192.77

Patterns:

α-Amino acid

Detail

Select ID 1458 DB fairmol

ulfkktlib_1291

ID 1458

Cc1cc(C)nc(/N=C/C(NC(=O)c2ccccc2)=C(/O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)n1

Formula: C27H28N6O6

MW: 532.56 | LogP: 2.06

TPSA: 186.13

Patterns:

α-Amino acid

Detail

Select ID 1496 DB fairmol

Z2755722093

ID 1496

N[C@@H](CSc1nc2ccccc2s1)C(=O)O

Formula: C10H10N2O2S2

MW: 254.34 | LogP: 1.80

TPSA: 76.21

Patterns:

α-Amino acid

Detail

Select ID 1744 DB fairmol

ulfkktlib_1127

ID 1744

Cc1cc(Cl)nc(/N=C\C=C(/O)N[C@H](Cc2ccccc2)C(=O)O)n1

Formula: C17H17ClN4O3

MW: 360.80 | LogP: 2.83

TPSA: 107.70

Patterns:

α-Amino acid

Detail

Select ID 1768 DB fairmol

ulfkktlib_1125

ID 1768

Cc1cc(Cl)nc(/N=C\C=C(/O)N[C@@H](Cc2ccccc2)C(=O)O)n1

Formula: C17H17ClN4O3

MW: 360.80 | LogP: 2.83

TPSA: 107.70

Patterns:

α-Amino acid

Detail

Select ID 1776 DB fairmol

ulfkktlib_1342

ID 1776

O=C(N[C@H](C(=O)O)c1cn2nc(Cl)ccc2n1)OCc1ccccc1

Formula: C16H13ClN4O4

MW: 360.76 | LogP: 2.43

TPSA: 105.82

Patterns:

α-Amino acid

Detail

Select ID 1782 DB fairmol

ulfkktlib_430

ID 1782

O=C(O)[C@@H]1CCC(=O)N1C(=O)OCc1ccccc1

Formula: C13H13NO5

MW: 263.25 | LogP: 1.40

TPSA: 83.91

Patterns:

α-Amino acid

Detail

Select ID 1848 DB fairmol

Z1521553982

ID 1848

CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1

Formula: C20H22N8O5

MW: 454.45 | LogP: 0.27

TPSA: 210.54

Patterns:

α-Amino acid

Detail

Select ID 2079 DB fairmol

OHD_Schistosoma_116

ID 2079

O=C(O)CNCc1ccc([C@H]2CC[C@]3(CC2)OO[C@]2(O3)[C@@H]3C[C@H]4C[C@@H](C3)C[C@@H]2C4)cc1

Formula: C25H33NO5

MW: 427.54 | LogP: 4.35

TPSA: 77.02

Patterns:

α-Amino acid

Detail

Select ID 2269 DB fairmol

OHD_Leishmania_366

ID 2269

COc1cc(Cc2c[nH+]c(N)nc2N)cc(OC)c1OC(=O)CN[C@@H](CCC(=O)O)C(=O)O

Formula: C20H26N5O8+

MW: 464.46 | LogP: -0.52

TPSA: 210.46

Patterns:

α-Amino acid

Detail

Select ID 2389 DB fairmol

Z104483552

ID 2389

O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)OCc1ccccc1

Formula: C19H18N2O4

MW: 338.36 | LogP: 3.09

TPSA: 91.42

Patterns:

α-Amino acid

Detail

Select ID 2403 DB fairmol

ulfkktlib_1125

ID 2403

Cc1cc(Cl)nc(N/C=C/C(=O)N[C@@H](Cc2ccccc2)C(=O)O)n1

Formula: C17H17ClN4O3

MW: 360.80 | LogP: 2.18

TPSA: 104.21

Patterns:

α-Amino acid

Detail

Select ID 2441 DB fairmol

Z85881721

ID 2441

O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)c1ccccc1Cl

Formula: C18H15ClN2O3

MW: 342.78 | LogP: 3.25

TPSA: 82.19

Patterns:

α-Amino acid

Detail

Select ID 2631 DB fairmol

OHD_Leishmania_366

ID 2631

COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC(=O)CN[C@H](CCC(=O)O)C(=O)O

Formula: C20H25N5O8

MW: 463.45 | LogP: 0.06

TPSA: 209.21

Patterns:

α-Amino acid

Detail

Select ID 2825 DB fairmol

ulfkktlib_1482

ID 2825

C[C@H](NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C(=O)O

Formula: C12H15N5O5

MW: 309.28 | LogP: -1.98

TPSA: 128.22

Patterns:

α-Amino acid

Detail

Select ID 3147 DB fairmol

OHD_Schistosoma_115

ID 3147

O=C(O)CNC(=O)COc1ccc([C@H]2CC[C@]3(CC2)OO[C@]2(O3)[C@@H]3C[C@H]4C[C@@H](C3)C[C@@H]2C4)cc1

Formula: C26H33NO7

MW: 471.55 | LogP: 3.75

TPSA: 103.32

Patterns:

α-Amino acid

Detail

Select ID 3334 DB fairmol

Z45637008

ID 3334

O=C(O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1

Formula: C18H14ClF3N2O4S

MW: 446.83 | LogP: 3.81

TPSA: 99.26

Patterns:

α-Amino acid

Detail

Select ID 3372 DB fairmol

Z2939836159

ID 3372

N[C@@H](CCc1nnn[nH]1)C(=O)O

Formula: C5H9N5O2

MW: 171.16 | LogP: -1.46

TPSA: 117.78

Patterns:

α-Amino acid

Detail

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