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Regex Pattern / motif 16 results

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16 results for Pattern / motif query

Cards

Pattern / motif 16 results DB Docking_panel_21

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Query interpretation

Pattern registry Vnos: coumarin Coumarin

Select ID 43 DB Docking_panel_21

OHD_TbNat_135

ID 43

COc1cc2ccc(=O)oc2c(OC)c1OC[C@H]1C(C)=CC[C@H]2C(C)(C)[C@@H](O)CC[C@@]12C

Formula: C26H34O6

MW: 442.55 | LogP: 4.96

TPSA: 78.13

Patterns:

Coumarin

Detail

Select ID 224 DB Docking_panel_21

OHD_Leishmania_356

ID 224

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 234 DB Docking_panel_21

Z19138088

ID 234

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 872 DB Docking_panel_21

Z283604206

ID 872

O=C(NCc1ccccn1)c1cc2c(ccc3ccccc32)oc1=O

Formula: C20H14N2O3

MW: 330.34 | LogP: 3.27

TPSA: 72.20

Patterns:

Coumarin

Detail

Select ID 946 DB Docking_panel_21

Z30820498

ID 946

Cc1csc(NC(=O)COc2ccc3c(C)cc(=O)oc3c2)n1

Formula: C16H14N2O4S

MW: 330.37 | LogP: 2.88

TPSA: 81.43

Patterns:

Coumarin

Detail

Select ID 952 DB Docking_panel_21

Z199467700

ID 952

COc1ccc2oc(=O)c(C(=O)NCc3ccccn3)cc2c1

Formula: C17H14N2O4

MW: 310.31 | LogP: 2.13

TPSA: 81.43

Patterns:

Coumarin

Detail

Select ID 988 DB Docking_panel_21

ulfkktlib_2095

ID 988

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

Formula: C17H13NO5

MW: 311.29 | LogP: 3.25

TPSA: 88.77

Patterns:

Coumarin

Detail

Select ID 1368 DB Docking_panel_21

ulfkktlib_3079

ID 1368

NC(=O)Nc1cc2ccc3ccccc3c2oc1=O

Formula: C14H10N2O3

MW: 254.24 | LogP: 2.44

TPSA: 85.33

Patterns:

Coumarin

Detail

Select ID 1467 DB Docking_panel_21

Z19459210

ID 1467

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 1513 DB Docking_panel_21

ulfkktlib_2850

ID 1513

Cc1c(O)ccc2cc(NC(=O)OCc3ccccc3)c(=O)oc12

Formula: C18H15NO5

MW: 325.32 | LogP: 3.56

TPSA: 88.77

Patterns:

Coumarin

Detail

Select ID 1704 DB Docking_panel_21

Z16383985

ID 1704

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 1974 DB Docking_panel_21

Z18477514

ID 1974

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 1995 DB Docking_panel_21

Z18477782

ID 1995

COc1ccc(NC(=O)COc2ccc3c(C)cc(=O)oc3c2)cc1S(=O)(=O)N1CCCCC1

Formula: C24H26N2O7S

MW: 486.55 | LogP: 3.30

TPSA: 115.15

Patterns:

Coumarin

Detail

Select ID 2455 DB Docking_panel_21

Z57108356

ID 2455

O=c1oc2c(O)c(O)ccc2c2c1CCC2

Formula: C12H10O4

MW: 218.21 | LogP: 1.69

TPSA: 70.67

Patterns:

Coumarin

Detail

Select ID 2490 DB Docking_panel_21

OHD_Leishmania_356

ID 2490

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 3153 DB Docking_panel_21

Z57704352

ID 3153

COc1ccc2oc(=O)c(-c3csc(Nc4ccc(O)cc4)n3)cc2c1

Formula: C19H14N2O4S

MW: 366.40 | LogP: 4.37

TPSA: 84.59

Patterns:

Coumarin

Detail