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Jasen preklop med dedupliciranimi compounds in posameznimi samples.
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Compounds 5571 Samples 0
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14 results for Pattern / motif query
Pattern / motif 14 results DB fairmol
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Query interpretation
Pattern registry Vnos: phosphonate Phosphonate
ID 555 DB fairmol
2D structure

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:

Phosphonate
Detail
ID 990 DB fairmol
2D structure

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:

Phosphonate
Detail
ID 1141 DB fairmol
2D structure

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:

Phosphonate
Detail
ID 1235 DB fairmol
2D structure

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:

Phosphonate
Detail
ID 1316 DB fairmol
2D structure

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:

Phosphonate
Detail
ID 1405 DB fairmol
2D structure

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:

Phosphonate
Detail
ID 1443 DB fairmol
2D structure

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:

Phosphonate
Detail
ID 1548 DB fairmol
2D structure

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:

Phosphonate
Detail
ID 1813 DB fairmol
2D structure

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:

Phosphonate
Detail
ID 2128 DB fairmol
2D structure

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:

Phosphonate
Detail
ID 2920 DB fairmol
2D structure

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:

Phosphonate
Detail
ID 3583 DB fairmol
2D structure

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:

Phosphonate
Detail
ID 3841 DB fairmol
2D structure

OHD_Leishmania_224

ID 3841

[NH3+]CCC(O)(P(=O)(O)O)P(=O)(O)O

Formula: C3H12NO7P2+

MW: 236.08 | LogP: -2.38

TPSA: 162.93

Patterns:

Phosphonate
Detail
ID 3965 DB fairmol
2D structure

OHD_TB2022_29

ID 3965

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:

Phosphonate
Detail