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Regex Pattern / motif 199 results

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199 results for Pattern / motif query

Cards

Pattern / motif 199 results DB Docking_panel_21

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Query interpretation

Pattern registry Vnos: resorcinol Resorcinol

Select ID 2 DB Docking_panel_21

Z56911531

ID 2

C/[NH+]=c1/scc(-c2cccs2)n1/N=C\c1ccc(O)c(O)c1O

Formula: C15H14N3O3S2+

MW: 348.43 | LogP: 0.89

TPSA: 91.95

Patterns:

Resorcinol

Detail

Select ID 8 DB Docking_panel_21

Z56900576

ID 8

C=CC/[NH+]=c1/scc(-c2ccco2)n1/N=C\c1ccc(O)c(O)c1O

Formula: C17H16N3O4S+

MW: 358.40 | LogP: 0.98

TPSA: 105.09

Patterns:

Resorcinol

Detail

Select ID 12 DB Docking_panel_21

Z56932065

ID 12

CC(C)/[NH+]=c1/scc(-c2cccs2)n1/N=C\c1ccc(O)c(O)c1O

Formula: C17H18N3O3S2+

MW: 376.48 | LogP: 1.67

TPSA: 91.95

Patterns:

Resorcinol

Detail

Select ID 13 DB Docking_panel_21

Z56902329

ID 13

CC/N=c1/scc(-c2ccc(Br)cc2)n1/N=C\c1ccc(O)c(O)c1O

Formula: C18H16BrN3O3S

MW: 434.32 | LogP: 3.90

TPSA: 90.34

Patterns:

Resorcinol

Detail

Select ID 19 DB Docking_panel_21

Z56935963

ID 19

COCC/[NH+]=c1\scc(-c2cccs2)n1/N=C\c1ccc(O)c(O)c1O

Formula: C17H18N3O4S2+

MW: 392.48 | LogP: 0.90

TPSA: 101.18

Patterns:

Resorcinol

Detail

Select ID 21 DB Docking_panel_21

Z49724748

ID 21

Cc1cc(SCC(=O)N/N=C/c2ccc(O)c(O)c2O)c(C)cc1Br

Formula: C17H17BrN2O4S

MW: 425.30 | LogP: 3.43

TPSA: 102.15

Patterns:

Resorcinol

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:

Resorcinol

Detail

Select ID 35 DB Docking_panel_21

Z49536372

ID 35

Oc1ccc(/C=N/Nc2ccc3ccccc3c2)c(O)c1

Formula: C17H14N2O2

MW: 278.31 | LogP: 3.70

TPSA: 64.85

Patterns:

Resorcinol

Detail

Select ID 36 DB Docking_panel_21

Z56905026

ID 36

COCC/[NH+]=c1/scc(-c2ccco2)n1/N=C\c1ccc(O)c(O)c1O

Formula: C17H18N3O5S+

MW: 376.41 | LogP: 0.44

TPSA: 114.32

Patterns:

Resorcinol

Detail

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:

Resorcinol

Detail

Select ID 45 DB Docking_panel_21

Z56920485

ID 45

Cc1cs/c(=N\C2CCCCC2)n1/N=C/c1ccc(O)c(O)c1O

Formula: C17H21N3O3S

MW: 347.44 | LogP: 3.09

TPSA: 90.34

Patterns:

Resorcinol

Detail

Select ID 70 DB Docking_panel_21

TC490

ID 70

Cc1cc(C)c2c(c1C)O[C@](C)(c1cn(CCc3cc(O)cc(O)c3)nn1)CN2

Formula: C22H26N4O3

MW: 394.48 | LogP: 3.58

TPSA: 92.43

Patterns:

Resorcinol

Detail

Select ID 142 DB Docking_panel_21

TC491

ID 142

Cc1cc(C)c2c(c1C)O[C@](C)(c1cn(CCc3cc(O)cc(O)c3)nn1)CN2Cc1ccc(O)cc1

Formula: C29H32N4O4

MW: 500.60 | LogP: 4.88

TPSA: 103.87

Patterns:

Resorcinol

Detail

Select ID 199 DB Docking_panel_21

OHD_TbNat_127

ID 199

COc1cc2c3c(c1O)Oc1ccc(cc1)C[C@@H]1c4cc(ccc4CC[N@H+]1C)Oc1cc(ccc1O)C[C@H]3[N@@H+](C)CC2

Formula: C35H38N2O5+2

MW: 566.70 | LogP: 3.71

TPSA: 77.03

Patterns:

Resorcinol

Detail

Select ID 222 DB Docking_panel_21

OHD_MAC_43

ID 222

COc1cccc(Nc2ncnc3c(N/N=C/c4cc(O)c(O)c(O)c4)ncnc23)c1

Formula: C20H17N7O4

MW: 419.40 | LogP: 2.73

TPSA: 157.90

Patterns:

Resorcinol

Detail

Select ID 248 DB Docking_panel_21

Z49638306

ID 248

C/C(=N\NC(=O)c1cc(-c2cccnc2)nc2ccccc12)c1ccc(O)cc1O

Formula: C23H18N4O3

MW: 398.42 | LogP: 3.86

TPSA: 107.70

Patterns:

Resorcinol

Detail

Select ID 270 DB Docking_panel_21

OHD_MAC_77

ID 270

COc1ccc(Nc2ncnc3c(N/N=C/c4cc(O)c(O)c(O)c4)ncnc23)cc1

Formula: C20H17N7O4

MW: 419.40 | LogP: 2.73

TPSA: 157.90

Patterns:

Resorcinol

Detail

Select ID 271 DB Docking_panel_21

TC489

ID 271

COc1ccc(C[N@@H+]2C[C@](C)(c3cn(CCc4cc(O)cc(O)c4)nn3)Oc3c(C)c(C)cc(C)c32)cc1

Formula: C30H35N4O4+

MW: 515.63 | LogP: 3.89

TPSA: 94.07

Patterns:

Resorcinol

Detail

Select ID 278 DB Docking_panel_21

Z44848907

ID 278

COc1cc(/C=N\NC(=O)c2ccc(CN3C(=O)c4cccc5cccc3c45)cc2)cc(OC)c1O

Formula: C28H23N3O5

MW: 481.51 | LogP: 4.49

TPSA: 100.46

Patterns:

Resorcinol

Detail

Select ID 283 DB Docking_panel_21

Z49604116

ID 283

CCN(CC)S(=O)(=O)c1cccc(C(=O)N/N=C\c2ccc(O)c(O)c2O)c1

Formula: C18H21N3O6S

MW: 407.45 | LogP: 1.60

TPSA: 139.53

Patterns:

Resorcinol

Detail

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