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Regex Pattern / motif 34 results

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34 results for Pattern / motif query

Cards

Pattern / motif 34 results DB fairmol

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Query interpretation

Pattern registry Vnos: phosphate Phosphate

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:

Phosphate

Detail

Select ID 555 DB fairmol

OHD_TB2022_32

ID 555

Nc1nc2c(ncn2C[C@@H](COCP(=O)(O)O)OC[C@@H](O)P(=O)(O)O)c(=O)[nH]1

Formula: C11H19N5O10P2

MW: 443.25 | LogP: -2.27

TPSA: 243.34

Patterns:

Phosphate

Detail

Select ID 990 DB fairmol

OHD_TB2021_32

ID 990

CC(C)[C@H](COCP(=O)(O)O)n1cnc2c(N)ncnc21

Formula: C11H18N5O4P

MW: 315.27 | LogP: 0.76

TPSA: 136.38

Patterns:

Phosphate

Detail

Select ID 1120 DB fairmol

TC376

ID 1120

COC(=O)c1cn([C@@H]2CCCCCCCCCCCCC[C@@H]2CCCCCO[P@@](=O)(O)OCC[N+](C)(C)C)nn1

Formula: C29H56N4O6P+

MW: 587.76 | LogP: 6.71

TPSA: 112.77

Patterns:

Phosphate

Detail

Select ID 1141 DB fairmol

OHD_TB2021_36

ID 1141

Nc1ncnc2c1ncn2[C@@H](CCOCP(=O)(O)O)OCCO

Formula: C11H18N5O6P

MW: 347.27 | LogP: -0.54

TPSA: 165.84

Patterns:

Phosphate

Detail

Select ID 1197 DB fairmol

OHD_Leishmania_29

ID 1197

C/C(=C(\CCOP(=O)(O)O)SC(=O)c1ccccc1)N(C=O)Cc1c[nH+]c(C)nc1N

Formula: C19H24N4O6PS+

MW: 467.46 | LogP: 2.05

TPSA: 157.19

Patterns:

Phosphate

Detail

Select ID 1235 DB fairmol

OHD_TB2021_35

ID 1235

CC[C@H](COCP(=O)(O)O)n1cnc2c(N)ncnc21

Formula: C10H16N5O4P

MW: 301.24 | LogP: 0.51

TPSA: 136.38

Patterns:

Phosphate

Detail

Select ID 1316 DB fairmol

OHD_TB2022_31

ID 1316

Nc1nc2c(ncn2C[C@H](COCP(=O)(O)O)OCCCP(=O)(O)O)c(=O)[nH]1

Formula: C12H21N5O9P2

MW: 441.27 | LogP: -1.19

TPSA: 223.11

Patterns:

Phosphate

Detail

Select ID 1405 DB fairmol

OHD_TB2021_33

ID 1405

Nc1ncnc2c1ncn2[C@H](COCc1ccccc1)COCP(=O)(O)O

Formula: C16H20N5O5P

MW: 393.34 | LogP: 1.32

TPSA: 145.61

Patterns:

Phosphate

Detail

Select ID 1443 DB fairmol

OHD_TB2022_30

ID 1443

Nc1nc2c(ncn2C[C@@H](COCP(=O)(O)O)OC[C@@H](O)CO)c(=O)[nH]1

Formula: C12H20N5O8P

MW: 393.29 | LogP: -2.41

TPSA: 206.04

Patterns:

Phosphate

Detail

Select ID 1548 DB fairmol

Z1546616194

ID 1548

C[C@H](Cn1cnc2c(N)ncnc21)OCP(=O)(O)O

Formula: C9H14N5O4P

MW: 287.22 | LogP: -0.05

TPSA: 136.38

Patterns:

Phosphate

Detail

Select ID 1813 DB fairmol

OHD_TB2022_29

ID 1813

O=P(O)(O)COC[C@H](Cn1cnc2c(O)ncnc21)OC[C@H](O)CO

Formula: C12H19N4O8P

MW: 378.28 | LogP: -1.58

TPSA: 180.28

Patterns:

Phosphate

Detail

Select ID 2128 DB fairmol

OHD_TB2022_30

ID 2128

Nc1nc2c(ncn2C[C@@H](COCP(=O)(O)O)OC[C@H](O)CO)c(=O)[nH]1

Formula: C12H20N5O8P

MW: 393.29 | LogP: -2.41

TPSA: 206.04

Patterns:

Phosphate

Detail

Select ID 2328 DB fairmol

TC46

ID 2328

C[N+](C)(C)CCO[P@@](=O)(O)OCCCCC=C1CCCCCCCCC1

Formula: C20H41NO4P+

MW: 390.53 | LogP: 5.45

TPSA: 55.76

Patterns:

Phosphate

Detail

Select ID 2400 DB fairmol

TC352

ID 2400

C[N+](C)(C)CCO[P@@](=O)(O)OCCCCC=C1CCCCCCCCCCC1

Formula: C22H45NO4P+

MW: 418.58 | LogP: 6.23

TPSA: 55.76

Patterns:

Phosphate

Detail

Select ID 2454 DB fairmol

TC53

ID 2454

C[N+](C)(C)CCO[P@@](=O)(O)OCCCCCC1CCCCCCCCC1

Formula: C20H43NO4P+

MW: 392.54 | LogP: 5.53

TPSA: 55.76

Patterns:

Phosphate

Detail

Select ID 2524 DB fairmol

TC372

ID 2524

C[N+](C)(C)CCO[P@@](=O)(O)OCCCC=C1CCCCCCCCCCC1

Formula: C21H43NO4P+

MW: 404.55 | LogP: 5.84

TPSA: 55.76

Patterns:

Phosphate

Detail

Select ID 2920 DB fairmol

OHD_TB2021_34

ID 2920

Nc1ncnc2c1ncn2[C@@H](COCP(=O)(O)O)C1CC1

Formula: C11H16N5O4P

MW: 313.25 | LogP: 0.51

TPSA: 136.38

Patterns:

Phosphate

Detail

Select ID 3583 DB fairmol

OHD_TB2023_32

ID 3583

CC(C)(C)C(=O)OCOP(=O)(OCOC(=O)C(C)(C)C)[C@H]1CCCN(O)C1=O

Formula: C17H30NO9P

MW: 423.40 | LogP: 2.69

TPSA: 128.67

Patterns:

Phosphate

Detail

Select ID 3636 DB fairmol

TC57

ID 3636

C[N+]1(C)[C@@H]2CC[C@H]1C/C(=C/CO[P@@](=O)(O)OCCCCC=C1CCCCCCCCCCCCCC1)C2

Formula: C31H57NO4P+

MW: 538.77 | LogP: 9.02

TPSA: 55.76

Patterns:

Phosphate

Detail

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