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Regex Pattern / motif 146 results

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146 results for Pattern / motif query

Cards

Pattern / motif 146 results DB fairmol

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Query interpretation

Pattern registry Vnos: carboxylic_acid Carboxylic acid

Select ID 64 DB fairmol

ulfkktlib_769

ID 64

O=C(N[C@H]1C(=O)N2C[C@H](C(=O)O)[C@@H](c3c(Cl)cccc3Cl)N2[C@@H]1c1ccccc1)OCc1ccccc1

Formula: C27H23Cl2N3O5

MW: 540.40 | LogP: 4.84

TPSA: 99.18

Patterns:

Carboxylic acid

Detail

Select ID 163 DB fairmol

OHD_TbNat_97

ID 163

C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@@H](CC[C@H]4[C@@]5(C)C[C@@H](O)[C@H](OC(=O)/C=C/c6ccc(O)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12

Formula: C39H54O6

MW: 618.85 | LogP: 8.03

TPSA: 104.06

Patterns:

Carboxylic acid

Detail

Select ID 307 DB fairmol

NMT-TY0928

ID 307

Nc1ccccc1S(=O)(=O)Nc1c(N)[nH]c(SCC(=O)O)nc1=O

Formula: C12H13N5O5S2

MW: 371.40 | LogP: -0.09

TPSA: 181.26

Patterns:

Carboxylic acid

Detail

Select ID 408 DB fairmol

Z2009870667

ID 408

CC(C)(O)c1ccccc1CC[C@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1

Formula: C35H36ClNO3S

MW: 586.20 | LogP: 8.95

TPSA: 70.42

Patterns:

Carboxylic acid

Detail

Select ID 430 DB fairmol

OHD_Babesia_53

ID 430

O=C(O)c1cn(C2CC2)c2cc(N3CC[NH+](Cc4cn(Cc5ccc(Br)cc5)nn4)CC3)c(F)cc2c1=O

Formula: C27H27BrFN6O3+

MW: 582.45 | LogP: 2.48

TPSA: 97.69

Patterns:

Carboxylic acid

Detail

Select ID 505 DB fairmol

NMT-TY0970

ID 505

Nc1[nH]c(SCC(=O)O)nc(=O)c1NS(=O)(=O)c1ccccc1[N+](=O)O

Formula: C12H12N5O7S2+

MW: 402.39 | LogP: 0.13

TPSA: 195.55

Patterns:

Carboxylic acid

Detail

Select ID 546 DB fairmol

OHD_MV-40

ID 546

NC1=NC(=[NH2+])N(c2ccc(C(=O)O)cc2)[C@@]2(CCC[N@@H+](Cc3ccccc3)C2)N1

Formula: C21H26N6O2+2

MW: 394.48 | LogP: -1.20

TPSA: 120.98

Patterns:

Carboxylic acid

Detail

Select ID 604 DB fairmol

NMT-TY0935

ID 604

Nc1cccc(S(=O)(=O)Nc2c(N)[nH]c(SCC(=O)O)nc2=O)c1

Formula: C12H13N5O5S2

MW: 371.40 | LogP: -0.09

TPSA: 181.26

Patterns:

Carboxylic acid

Detail

Select ID 643 DB fairmol

NMT-TY0602

ID 643

Nc1ccc(S(=O)(=O)Nc2c(N)[nH]c(SCC(=O)O)nc2=O)cc1

Formula: C12H13N5O5S2

MW: 371.40 | LogP: -0.09

TPSA: 181.26

Patterns:

Carboxylic acid

Detail

Select ID 863 DB fairmol

TC258

ID 863

C[C@]12CC[C@H](O)CC1=C/C(=N/OCC(=O)O)[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]21O[C@@H]1CO

Formula: C23H33NO6

MW: 419.52 | LogP: 2.51

TPSA: 111.88

Patterns:

Carboxylic acid

Detail

Select ID 912 DB fairmol

NMT-TY0939

ID 912

Nc1[nH]c(SCC(=O)O)nc(=O)c1NS(=O)(=O)c1cccc([N+](=O)O)c1

Formula: C12H12N5O7S2+

MW: 402.39 | LogP: 0.13

TPSA: 195.55

Patterns:

Carboxylic acid

Detail

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:

Carboxylic acid

Detail

Select ID 998 DB fairmol

OHD_Babesia_52

ID 998

O=C(O)c1cn(C2CC2)c2cc(N3CC[NH+](Cc4cn(Cc5ccc(F)cc5)nn4)CC3)c(F)cc2c1=O

Formula: C27H27F2N6O3+

MW: 521.55 | LogP: 1.86

TPSA: 97.69

Patterns:

Carboxylic acid

Detail

Select ID 1006 DB fairmol

OHD_Babesia_51

ID 1006

O=C(O)c1cn(C2CC2)c2cc(N3CCN(Cc4cn(Cc5ccc(C(F)(F)F)cc5)nn4)CC3)c(F)cc2c1=O

Formula: C28H26F4N6O3

MW: 570.55 | LogP: 4.15

TPSA: 96.49

Patterns:

Carboxylic acid

Detail

Select ID 1082 DB fairmol

Z1551967334

ID 1082

CCCc1[nH+]c2c(C)cc(-c3nc4ccccc4n3C)cc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1

Formula: C33H31N4O2+

MW: 515.64 | LogP: 6.68

TPSA: 74.19

Patterns:

Carboxylic acid

Detail

Select ID 1149 DB fairmol

OHD_TC1_166

ID 1149

O=C(O)c1c(C[N@H+]2CC[N@@H+](CCO)CC2)nc2ccc(Cl)cc2c1-c1ccccc1

Formula: C23H26ClN3O3+2

MW: 427.93 | LogP: 0.53

TPSA: 79.30

Patterns:

Carboxylic acid

Detail

Select ID 1169 DB fairmol

OHD_TC1_165

ID 1169

O=C(O)c1c(C[NH2+]C2CCN(Cc3ccccc3)CC2)nc2ccc(Cl)cc2c1-c1ccccc1

Formula: C29H29ClN3O2+

MW: 487.02 | LogP: 4.98

TPSA: 70.04

Patterns:

Carboxylic acid

Detail

Select ID 1213 DB fairmol

Z2009870667

ID 1213

CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(=O)O)CC1)c1cccc(/C=C\c2ccc3ccc(Cl)cc3n2)c1

Formula: C35H36ClNO3S

MW: 586.20 | LogP: 8.95

TPSA: 70.42

Patterns:

Carboxylic acid

Detail

Select ID 1353 DB fairmol

OHD_TC1_167

ID 1353

[NH3+]CCN1CC[NH+](Cc2nc3ccc(Cl)cc3c(-c3ccccc3)c2C(=O)O)CC1

Formula: C23H27ClN4O2+2

MW: 426.95 | LogP: 1.20

TPSA: 85.51

Patterns:

Carboxylic 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:

Carboxylic acid

Detail

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