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Regex Pattern / motif 115 results

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115 results for Pattern / motif query

Cards

Pattern / motif 115 results DB Docking_panel_21

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Query interpretation

Pattern registry Vnos: hydroquinone Hydroquinone

Select ID 3 DB Docking_panel_21

MK151

ID 3

Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(c1cn(CCc3ccc(O)c(O)c3)nn1)O2

Formula: C23H27N3O4

MW: 409.49 | LogP: 3.80

TPSA: 100.63

Patterns:

Hydroquinone

Detail

Select ID 23 DB Docking_panel_21

MK160

ID 23

Cc1c(C)c2c(c(C)c1O)CC[C@](C)(c1nc(CCc3ccc(O)c(O)c3)no1)O2

Formula: C23H26N2O5

MW: 410.47 | LogP: 4.14

TPSA: 108.84

Patterns:

Hydroquinone

Detail

Select ID 29 DB Docking_panel_21

MK214

ID 29

Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(c1cn(CCc3cc(O)cc(O)c3)nn1)O2

Formula: C23H27N3O4

MW: 409.49 | LogP: 3.80

TPSA: 100.63

Patterns:

Hydroquinone

Detail

Select ID 40 DB Docking_panel_21

OHD_Babesia_62

ID 40

COc1ccc(OC)c(NCc2ccc3nc(N)nc(N)c3c2Cl)c1

Formula: C17H18ClN5O2

MW: 359.82 | LogP: 3.08

TPSA: 108.31

Patterns:

Hydroquinone

Detail

Select ID 58 DB Docking_panel_21

MK221

ID 58

Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CCc1cn(CCCc3ccc(O)c(O)c3)nn1)O2

Formula: C26H33N3O4

MW: 451.57 | LogP: 4.67

TPSA: 100.63

Patterns:

Hydroquinone

Detail

Select ID 59 DB Docking_panel_21

MK217

ID 59

Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(c1nnc(CCc3ccc(O)c(O)c3)s1)O2

Formula: C23H26N2O4S

MW: 426.54 | LogP: 4.61

TPSA: 95.70

Patterns:

Hydroquinone

Detail

Select ID 64 DB Docking_panel_21

TC394

ID 64

Cc1c(C)c2c(c(C)c1O)SC[C@](C)(c1nnc(CCc3ccc(O)c(O)c3)o1)O2

Formula: C22H24N2O5S

MW: 428.51 | LogP: 4.30

TPSA: 108.84

Patterns:

Hydroquinone

Detail

Select ID 66 DB Docking_panel_21

TC487

ID 66

Cc1c(C)c2c(c(C)c1O)SC[C@@](C)(c1cn(CCc3ccc(O)c(O)c3)nn1)O2

Formula: C22H25N3O4S

MW: 427.53 | LogP: 3.96

TPSA: 100.63

Patterns:

Hydroquinone

Detail

Select ID 71 DB Docking_panel_21

MK2

ID 71

Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NCCNC(=O)/C=C/c1ccc(O)c(O)c1)O2

Formula: C25H30N2O6

MW: 454.52 | LogP: 2.76

TPSA: 128.12

Patterns:

Hydroquinone

Detail

Select ID 77 DB Docking_panel_21

TC393

ID 77

COc1ccc(CCc2nnc([C@]3(C)CSc4c(C)c(O)c(C)c(C)c4O3)o2)cc1OC

Formula: C24H28N2O5S

MW: 456.56 | LogP: 4.90

TPSA: 86.84

Patterns:

Hydroquinone

Detail

Select ID 88 DB Docking_panel_21

MK154

ID 88

Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(COCc1cc(CCc3ccc(O)c(O)c3)no1)O2

Formula: C26H31NO6

MW: 453.54 | LogP: 4.80

TPSA: 105.18

Patterns:

Hydroquinone

Detail

Select ID 104 DB Docking_panel_21

Z56920486

ID 104

COCC/N=c1/scc(-c2cc(OC)ccc2OC)n1/N=C/c1c[nH]c2ccccc12

Formula: C23H24N4O3S

MW: 436.54 | LogP: 4.14

TPSA: 73.13

Patterns:

Hydroquinone

Detail

Select ID 107 DB Docking_panel_21

TC392

ID 107

Cc1c(C)c2c(c(C)c1O)SC[C@](C)(c1nc(CCc3ccc(O)c(O)c3)no1)O2

Formula: C22H24N2O5S

MW: 428.51 | LogP: 4.30

TPSA: 108.84

Patterns:

Hydroquinone

Detail

Select ID 111 DB Docking_panel_21

MK155

ID 111

Cc1c(C)c2c(c(C)c1O)CC[C@](C)(c1nnc(CCc3ccc(O)c(O)c3)o1)O2

Formula: C23H26N2O5

MW: 410.47 | LogP: 4.14

TPSA: 108.84

Patterns:

Hydroquinone

Detail

Select ID 130 DB Docking_panel_21

MK152

ID 130

Cc1c(C)c2c(c(C)c1O)CC[C@](C)(COCc1cn(CCc3ccc(O)c(O)c3)nn1)O2

Formula: C25H31N3O5

MW: 453.54 | LogP: 3.86

TPSA: 109.86

Patterns:

Hydroquinone

Detail

Select ID 131 DB Docking_panel_21

MK211

ID 131

Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CCCc1cc(CCc3ccc(O)c(O)c3)no1)O2

Formula: C27H33NO5

MW: 451.56 | LogP: 5.61

TPSA: 95.95

Patterns:

Hydroquinone

Detail

Select ID 152 DB Docking_panel_21

MK210

ID 152

Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CCCc1cn(CCc3ccc(O)c(O)c3)nn1)O2

Formula: C26H33N3O4

MW: 451.57 | LogP: 4.67

TPSA: 100.63

Patterns:

Hydroquinone

Detail

Select ID 153 DB Docking_panel_21

KB_Leish_34

ID 153

COc1ccc(Oc2ccc([C@@H](C)N(C)c3ncc4c(N)nc(N)[nH+]c4n3)cc2)cc1

Formula: C22H24N7O2+

MW: 418.48 | LogP: 3.00

TPSA: 126.55

Patterns:

Hydroquinone

Detail

Select ID 175 DB Docking_panel_21

MK219

ID 175

Cc1c(C)c2c(c(C)c1O)CC[C@](C)(Cc1cn(CCCc3ccc(O)c(O)c3)nn1)O2

Formula: C25H31N3O4

MW: 437.54 | LogP: 4.28

TPSA: 100.63

Patterns:

Hydroquinone

Detail

Select ID 184 DB Docking_panel_21

OHD_TbNat_104

ID 184

CC(C)=CC[C@@]12O[C@@H]1C(=O)c1c(O)ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1C2=O

Formula: C21H24O10

MW: 436.41 | LogP: -0.56

TPSA: 166.28

Patterns:

Hydroquinone

Detail

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