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13 results for Pattern / motif query
Pattern / motif 13 results DB Docking_panel_21
Selected 0
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Query interpretation
Pattern registry Vnos: flavone Flavone
ID 345 DB Docking_panel_21
2D structure

OHD_Leishmania_380

ID 345

O=c1cc(-c2ccc(O)c(-c3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)c2)oc2cc(O)cc(O)c12

Formula: C30H18O10

MW: 538.46 | LogP: 5.13

TPSA: 181.80

Patterns:

ID 454 DB Docking_panel_21
2D structure

OHD_TbNat_136

ID 454

CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@@H](COC(=O)/C=C/c2ccc(O)cc2)O[C@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)[C@@H]1OC(=O)/C=C/c1ccc(O)cc1

Formula: C43H36O17

MW: 824.74 | LogP: 4.84

TPSA: 255.02

Patterns:

ID 1585 DB Docking_panel_21
2D structure

Z57176222

ID 1585

O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12

Formula: C15H10O7

MW: 302.24 | LogP: 1.99

TPSA: 131.36

Patterns:

ID 2000 DB Docking_panel_21
2D structure

OHD_TbNat_136

ID 2000

CC(=O)O[C@H]1[C@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)O[C@@H](COC(=O)/C=C/c2ccc(O)cc2)[C@H]1OC(C)=O

Formula: C43H36O17

MW: 824.74 | LogP: 4.84

TPSA: 255.02

Patterns:

ID 2076 DB Docking_panel_21
2D structure

OHD_TbNat_136

ID 2076

CC(=O)O[C@@H]1[C@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)O[C@H](COC(=O)/C=C/c2ccc(O)cc2)[C@@H]1OC(C)=O

Formula: C43H36O17

MW: 824.74 | LogP: 4.84

TPSA: 255.02

Patterns:

ID 2209 DB Docking_panel_21
2D structure

Z56804221

ID 2209

O=C(COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1)OCc1ccccc1

Formula: C24H18O6

MW: 402.40 | LogP: 4.29

TPSA: 85.97

Patterns:

ID 2343 DB Docking_panel_21
2D structure

OHD_TbNat_136

ID 2343

CC(=O)O[C@@H]1[C@H](OC(=O)/C=C/c2ccc(O)cc2)[C@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)O[C@H](COC(=O)/C=C/c2ccc(O)cc2)[C@@H]1OC(C)=O

Formula: C43H36O17

MW: 824.74 | LogP: 4.84

TPSA: 255.02

Patterns:

ID 2350 DB Docking_panel_21
2D structure

Z57183373

ID 2350

O=c1c(O)c(-c2ccc(O)cc2)oc2cc(O)cc(O)c12

Formula: C15H10O6

MW: 286.24 | LogP: 2.28

TPSA: 111.13

Patterns:

ID 2463 DB Docking_panel_21
2D structure

OHD_Leishmania_371

ID 2463

CC(C)=CCc1c2c(c(O)c3c(=O)c(O)c(-c4ccccc4)oc13)C=CC(C)(C)O2

Formula: C25H24O5

MW: 404.46 | LogP: 5.56

TPSA: 79.90

Patterns:

ID 2528 DB Docking_panel_21
2D structure

OHD_Leishmania_370

ID 2528

O=C1C[C@H](c2ccc(O)cc2)Oc2cc(O)c(-c3c(O)cc(O)c4c(=O)cc(-c5ccc(O)cc5)oc34)c(O)c21

Formula: C30H20O10

MW: 540.48 | LogP: 5.07

TPSA: 177.89

Patterns:

ID 2800 DB Docking_panel_21
2D structure

OHD_TbNat_136

ID 2800

CC(=O)O[C@H]1[C@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)O[C@H](COC(=O)/C=C/c2ccc(O)cc2)[C@@H]1OC(C)=O

Formula: C43H36O17

MW: 824.74 | LogP: 4.84

TPSA: 255.02

Patterns:

ID 3293 DB Docking_panel_21
2D structure

Z29700287

ID 3293

Cc1ccc(Cl)cc1N1CCN(C(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)CC1

Formula: C28H25ClN2O3

MW: 472.97 | LogP: 5.69

TPSA: 53.76

Patterns:

ID 3585 DB Docking_panel_21
2D structure

OHD_TbNat_136

ID 3585

CC(=O)O[C@H]1[C@@H](OC(=O)/C=C/c2ccc(O)cc2)[C@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)O[C@H](COC(=O)/C=C/c2ccc(O)cc2)[C@H]1OC(C)=O

Formula: C43H36O17

MW: 824.74 | LogP: 4.84

TPSA: 255.02

Patterns: