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Regex Pattern / motif 35 results

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35 results for Pattern / motif query

Cards

Pattern / motif 35 results DB fairmol

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Query interpretation

Pattern registry Vnos: coumarin Coumarin

Select ID 209 DB fairmol

OHD_Leishmania_356

ID 209

O=C(N/N=C1\C(=O)N(C[C@H](O)COc2cc(=O)oc3ccccc23)c2ccccc21)c1ccncc1

Formula: C26H20N4O6

MW: 484.47 | LogP: 2.11

TPSA: 134.33

Patterns:

Coumarin

Detail

Select ID 363 DB fairmol

Z18477514

ID 363

Cc1cc(=O)oc2cc(OCC(=O)N3CCN(C(=O)[C@H]4COc5ccccc5O4)CC3)ccc12

Formula: C25H24N2O7

MW: 464.47 | LogP: 1.99

TPSA: 98.52

Patterns:

Coumarin

Detail

Select ID 651 DB fairmol

Z19138088

ID 651

COc1cccc(-n2c(SCc3cc(=O)oc4cc(O)c(O)cc34)nc3ccccc3c2=O)c1

Formula: C25H18N2O6S

MW: 474.49 | LogP: 4.20

TPSA: 114.79

Patterns:

Coumarin

Detail

Select ID 944 DB fairmol

Z19459210

ID 944

COc1cc(-c2nnc(SCc3cc(=O)oc4cc(O)c(O)cc34)o2)cc(OC)c1OC

Formula: C21H18N2O8S

MW: 458.45 | LogP: 3.57

TPSA: 137.28

Patterns:

Coumarin

Detail

Select ID 1019 DB fairmol

Z16108662

ID 1019

Cc1cc(C(=O)COc2ccc3ccc(=O)oc3c2)c(C)n1Cc1cccs1

Formula: C22H19NO4S

MW: 393.46 | LogP: 4.58

TPSA: 61.44

Patterns:

Coumarin

Detail

Select ID 1165 DB fairmol

ulfkktlib_2489

ID 1165

O=C(c1ccccc1)C(/C=N/c1cc2c(=O)oc3ccccc3c2oc1=O)C(=O)c1ccccc1

Formula: C28H17NO6

MW: 463.45 | LogP: 4.98

TPSA: 106.92

Patterns:

Coumarin

Detail

Select ID 1566 DB fairmol

Z25107081

ID 1566

O=c1cc(CSc2nncs2)c2ccc(O)cc2o1

Formula: C12H8N2O3S2

MW: 292.34 | LogP: 2.64

TPSA: 76.22

Patterns:

Coumarin

Detail

Select ID 1603 DB fairmol

Z29673175

ID 1603

Cc1nnc(/N=C(\O)COc2ccc3c(C)cc(=O)oc3c2)s1

Formula: C15H13N3O4S

MW: 331.35 | LogP: 2.93

TPSA: 97.81

Patterns:

Coumarin

Detail

Select ID 1684 DB fairmol

ulfkktlib_3079

ID 1684

NC(=O)Nc1cc2ccc3ccccc3c2oc1=O

Formula: C14H10N2O3

MW: 254.24 | LogP: 2.44

TPSA: 85.33

Patterns:

Coumarin

Detail

Select ID 1922 DB fairmol

OHD_Leishmania_356

ID 1922

O=C(N/N=C1\C(=O)N(C[C@@H](O)COc2cc(=O)oc3ccccc23)c2ccccc21)c1ccncc1

Formula: C26H20N4O6

MW: 484.47 | LogP: 2.11

TPSA: 134.33

Patterns:

Coumarin

Detail

Select ID 1924 DB fairmol

Z16383985

ID 1924

O=C(C[C@H]1Sc2ccccc2NC1=O)OCc1cc(=O)oc2cc(O)ccc12

Formula: C20H15NO6S

MW: 397.41 | LogP: 3.04

TPSA: 105.84

Patterns:

Coumarin

Detail

Select ID 1997 DB fairmol

Z57108356

ID 1997

O=c1oc2c(O)c(O)ccc2c2c1CCC2

Formula: C12H10O4

MW: 218.21 | LogP: 1.69

TPSA: 70.67

Patterns:

Coumarin

Detail

Select ID 2042 DB fairmol

Z57109255

ID 2042

Cc1c(Cc2ccccc2)c(=O)oc2cc(O)ccc12

Formula: C17H14O3

MW: 266.30 | LogP: 3.40

TPSA: 50.44

Patterns:

Coumarin

Detail

Select ID 2066 DB fairmol

Z1824566179

ID 2066

Cc1c(Cc2ccccc2)c(=O)oc2c(O)c(O)ccc12

Formula: C17H14O4

MW: 282.30 | LogP: 3.10

TPSA: 70.67

Patterns:

Coumarin

Detail

Select ID 2073 DB fairmol

ulfkktlib_2095

ID 2073

O=C(Nc1cc2ccc(O)cc2oc1=O)OCc1ccccc1

Formula: C17H13NO5

MW: 311.29 | LogP: 3.25

TPSA: 88.77

Patterns:

Coumarin

Detail

Select ID 2080 DB fairmol

Z56849319

ID 2080

O=C(c1ccccc1)c1cc2ccc(O)cc2oc1=O

Formula: C16H10O4

MW: 266.25 | LogP: 2.73

TPSA: 67.51

Patterns:

Coumarin

Detail

Select ID 2129 DB fairmol

Z16383985

ID 2129

O=C(C[C@@H]1Sc2ccccc2NC1=O)OCc1cc(=O)oc2cc(O)ccc12

Formula: C20H15NO6S

MW: 397.41 | LogP: 3.04

TPSA: 105.84

Patterns:

Coumarin

Detail

Select ID 2154 DB fairmol

ulfkktlib_2479

ID 2154

COC(=O)C(=CNc1cc2c(=O)oc3ccccc3c2oc1=O)C(=O)OC

Formula: C18H13NO8

MW: 371.30 | LogP: 1.54

TPSA: 125.05

Patterns:

Coumarin

Detail

Select ID 2155 DB fairmol

Z57170530

ID 2155

O=c1oc2ccccc2c(O)c1Cc1c(O)c2ccccc2oc1=O

Formula: C19H12O6

MW: 336.30 | LogP: 2.90

TPSA: 100.88

Patterns:

Coumarin

Detail

Select ID 2522 DB fairmol

ulfkktlib_2457

ID 2522

CCOC(=O)C(/C=N/c1cc2c(oc1=O)c(O)cc1ccccc12)C(=O)OCC

Formula: C21H19NO7

MW: 397.38 | LogP: 3.10

TPSA: 115.40

Patterns:

Coumarin

Detail

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