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Regex Pattern / motif 71 results

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71 results for Pattern / motif query

Cards

Pattern / motif 71 results DB Docking_panel_21

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Query interpretation

Pattern registry Vnos: thf Tetrahydrofuran

Select ID 33 DB Docking_panel_21

Z25378902

ID 33

CCc1ccc(Nc2nnc(S[C@@H]3CCOC3=O)s2)cc1

Formula: C14H15N3O2S2

MW: 321.43 | LogP: 3.25

TPSA: 64.11

Patterns:

Tetrahydrofuran

Detail

Select ID 156 DB Docking_panel_21

Z151832316

ID 156

Oc1nc(CSc2nnc(NC[C@@H]3CCCO3)s2)nc2sc(-c3ccccc3)cc12

Formula: C20H19N5O2S3

MW: 457.61 | LogP: 4.80

TPSA: 93.05

Patterns:

Tetrahydrofuran

Detail

Select ID 197 DB Docking_panel_21

OHD_TB2020_5

ID 197

COc1nc2ccccc2cc1-c1cnc([C@@H]2C[N@H+](C[C@H]3CCOC3)CCN2C(=O)n2c(C(F)(F)F)nc3ccccc32)[nH]1

Formula: C31H31F3N7O3+

MW: 606.63 | LogP: 3.95

TPSA: 102.60

Patterns:

Tetrahydrofuran

Detail

Select ID 391 DB Docking_panel_21

MK131

ID 391

O=[N+](O)OC[C@@H]1O[C@@H](n2cnc3c(NC4CCCCC4)ncnc32)[C@@H](O)[C@H]1O

Formula: C16H23N6O6+

MW: 395.40 | LogP: 0.29

TPSA: 154.86

Patterns:

Tetrahydrofuran

Detail

Select ID 403 DB Docking_panel_21

OHD_TB2020_4

ID 403

COc1ccc2nc(C(F)(F)F)n(CC(=O)N3CC[N@@H+](C[C@H]4CCOC4)CC[C@H]3c3nc(-c4cc5ccccc5nc4OC)c[nH]3)c2c1

Formula: C34H37F3N7O4+

MW: 664.71 | LogP: 3.91

TPSA: 111.83

Patterns:

Tetrahydrofuran

Detail

Select ID 450 DB Docking_panel_21

OHD_TbNat_131

ID 450

CC(=O)O[C@@H]1[C@H](O)[C@@H](O[C@@H]2[C@@H](OC(=O)[C@H]3CC[C@@H]4[C@H](C3)O[C@]3(C[C@@H](OC(=O)/C=C/c5ccccc5)[C@@H](C)CO3)[C@]43CO3)O[C@@H](CO)[C@@H](O)[C@H]2O)O[C@H](C)[C@H]1O

Formula: C38H50O17

MW: 778.80 | LogP: -0.29

TPSA: 238.73

Patterns:

Tetrahydrofuran

Detail

Select ID 452 DB Docking_panel_21

OHD_TbNat_132

ID 452

CC(=O)O[C@@H]1[C@H](O)[C@H](CO)O[C@@H](OC(=O)[C@H]2CC[C@@H]3[C@H](C2)O[C@]2(C[C@@H](OC(=O)/C=C/c4ccccc4)[C@@H](C)CO2)[C@]32CO2)[C@H]1O[C@H]1OC[C@@H](O)[C@@H](OC(C)=O)[C@@H]1O

Formula: C39H50O18

MW: 806.81 | LogP: -0.10

TPSA: 244.80

Patterns:

Tetrahydrofuran

Detail

Select ID 453 DB Docking_panel_21

OHD_TbNat_130

ID 453

C[C@@H]1O[C@H](O[C@H]2[C@@H](OC(=O)[C@H]3CC[C@@H]4[C@H](C3)O[C@]3(C[C@@H](OC(=O)/C=C/c5ccccc5)[C@@H](C)CO3)[C@]43CO3)O[C@@H](CO)[C@@H](O)[C@H]2O)[C@@H](O)[C@@H](O)[C@H]1O

Formula: C36H48O16

MW: 736.76 | LogP: -0.86

TPSA: 232.66

Patterns:

Tetrahydrofuran

Detail

Select ID 456 DB Docking_panel_21

OHD_TbNat_129

ID 456

CC(=O)O[C@@H]1[C@H](O)[C@H](C)O[C@@H](OC(=O)[C@H]2CC[C@@H]3[C@H](C2)O[C@@]2(C[C@@H](OC(=O)/C=C/c4ccccc4)[C@@H](C)CO2)[C@]3(O)CO)[C@H]1O[C@@H]1O[C@H](C)[C@@H](OC(C)=O)[C@H](O)[C@@H]1O

Formula: C40H54O18

MW: 822.85 | LogP: 0.27

TPSA: 252.50

Patterns:

Tetrahydrofuran

Detail

Select ID 517 DB Docking_panel_21

OHD_TbNat_161

ID 517

O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@@H]1CCCO1)[C@@H]1Cc2ccccc2CN1

Formula: C26H30N4O3

MW: 446.55 | LogP: 2.20

TPSA: 95.25

Patterns:

Tetrahydrofuran

Detail

Select ID 643 DB Docking_panel_21

ulfkktlib_926

ID 643

O=C(N[C@H]1C(=O)N2[C@@H]3C(=O)OC(=O)[C@@H]3[C@@H](c3ccccc3)N2[C@@H]1c1ccccc1)c1ccccc1

Formula: C27H21N3O5

MW: 467.48 | LogP: 2.41

TPSA: 96.02

Patterns:

Tetrahydrofuran

Detail

Select ID 736 DB Docking_panel_21

OHD_TB2020_4

ID 736

COc1ccc2nc(C(F)(F)F)n(CC(=O)N3CC[N@H+](C[C@@H]4CCOC4)CC[C@@H]3c3nc(-c4cc5ccccc5nc4OC)c[nH]3)c2c1

Formula: C34H37F3N7O4+

MW: 664.71 | LogP: 3.91

TPSA: 111.83

Patterns:

Tetrahydrofuran

Detail

Select ID 786 DB Docking_panel_21

Z19651249

ID 786

Cc1cc(C(=O)CSc2nc3ccccc3o2)c(C)n1C[C@@H]1CCCO1

Formula: C20H22N2O3S

MW: 370.47 | LogP: 4.40

TPSA: 57.26

Patterns:

Tetrahydrofuran

Detail

Select ID 801 DB Docking_panel_21

Z56786752

ID 801

Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](F)[C@H]1O

Formula: C10H12FN5O3

MW: 269.24 | LogP: -1.00

TPSA: 119.31

Patterns:

Tetrahydrofuran

Detail

Select ID 997 DB Docking_panel_21

MK129

ID 997

Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CO[N+](=O)O)[C@@H](O)[C@@H]1O

Formula: C10H13N6O6+

MW: 313.25 | LogP: -1.87

TPSA: 168.85

Patterns:

Tetrahydrofuran

Detail

Select ID 1003 DB Docking_panel_21

MK131

ID 1003

O=[N+](O)OC[C@@H]1O[C@@H](n2cnc3c(NC4CCCCC4)ncnc32)[C@H](O)[C@@H]1O

Formula: C16H23N6O6+

MW: 395.40 | LogP: 0.29

TPSA: 154.86

Patterns:

Tetrahydrofuran

Detail

Select ID 1037 DB Docking_panel_21

OHD_TC2_69

ID 1037

CNc1ncnc2c1CCN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

Formula: C12H18N4O4

MW: 282.30 | LogP: -1.68

TPSA: 110.97

Patterns:

Tetrahydrofuran

Detail

Select ID 1060 DB Docking_panel_21

Z56786752

ID 1060

Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](F)[C@H]1O

Formula: C10H12FN5O3

MW: 269.24 | LogP: -1.00

TPSA: 119.31

Patterns:

Tetrahydrofuran

Detail

Select ID 1169 DB Docking_panel_21

OHD_Leishmania_68

ID 1169

COc1cc([C@H]2O[C@@H](c3ccc(O)c(OC)c3)[C@H](C)[C@@H]2C)ccc1O

Formula: C20H24O5

MW: 344.41 | LogP: 4.20

TPSA: 68.15

Patterns:

Tetrahydrofuran

Detail

Select ID 1205 DB Docking_panel_21

MK129

ID 1205

Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CO[N+](=O)O)[C@H](O)[C@H]1O

Formula: C10H13N6O6+

MW: 313.25 | LogP: -1.87

TPSA: 168.85

Patterns:

Tetrahydrofuran

Detail

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