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Regex Pattern / motif 247 results

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247 results for Pattern / motif query

Cards

Pattern / motif 247 results DB fairmol

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Query interpretation

Pattern registry Vnos: resorcinol Resorcinol

Select ID 42 DB fairmol

Z49724748

ID 42

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 44 DB fairmol

TC358

ID 44

[NH3+]Cc1nnc(Cc2ccc(OCc3ccccc3)cc2OCc2ccccc2)o1

Formula: C24H24N3O3+

MW: 402.47 | LogP: 3.56

TPSA: 85.02

Patterns:

Resorcinol

Detail

Select ID 58 DB fairmol

MK214

ID 58

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 78 DB fairmol

TC490

ID 78

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 fairmol

Z56893343

ID 142

COc1cc(C(=O)NC(=S)N(CCc2ccccc2)CCc2ccccc2)cc(OC)c1OC

Formula: C27H30N2O4S

MW: 478.61 | LogP: 4.51

TPSA: 60.03

Patterns:

Resorcinol

Detail

Select ID 159 DB fairmol

OHD_TbNat_127

ID 159

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 187 DB fairmol

Z57281539

ID 187

Cc1n[nH]c(-c2ccc(O)cc2O)c1-c1ccc(Cl)cc1

Formula: C16H13ClN2O2

MW: 300.75 | LogP: 4.12

TPSA: 69.14

Patterns:

Resorcinol

Detail

Select ID 188 DB fairmol

TC489

ID 188

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 191 DB fairmol

TC484

ID 191

COc1ccc(CN2C[C@](C)(COCc3cn(CCc4cc(O)cc(O)c4)nn3)Oc3c(C)c(C)cc(C)c32)cc1

Formula: C32H38N4O5

MW: 558.68 | LogP: 5.24

TPSA: 102.10

Patterns:

Resorcinol

Detail

Select ID 215 DB fairmol

OHD_MAC_51

ID 215

OCCCOc1ccc(Nc2ncnc3c(N/N=C/c4cc(O)c(O)c(O)c4)ncnc23)cc1

Formula: C22H21N7O5

MW: 463.45 | LogP: 2.49

TPSA: 178.13

Patterns:

Resorcinol

Detail

Select ID 220 DB fairmol

OHD_MAC_36

ID 220

Oc1cc(/C=N/Nc2ncnc3c(Nc4cccc(Cl)c4)ncnc23)cc(O)c1O

Formula: C19H14ClN7O3

MW: 423.82 | LogP: 3.38

TPSA: 148.67

Patterns:

Resorcinol

Detail

Select ID 240 DB fairmol

OHD_MAC_20

ID 240

COc1cc(/C=[NH+]/N=c2\[nH]cnc3c(Nc4cccc(OCCCO)c4)[nH+]cnc23)cc(OC)c1O

Formula: C24H27N7O5+2

MW: 493.52 | LogP: 0.02

TPSA: 162.22

Patterns:

Resorcinol

Detail

Select ID 263 DB fairmol

Z56833421

ID 263

O=C(Cc1csc(N2CCOCC2)n1)N/N=C/c1ccc(O)c(O)c1O

Formula: C16H18N4O5S

MW: 378.41 | LogP: 0.79

TPSA: 127.51

Patterns:

Resorcinol

Detail

Select ID 277 DB fairmol

OHD_Leishmania_205

ID 277

COc1cc(OC)c(C(=O)/C=C/c2cccc(NS(=O)(=O)c3ccc(-c4ccccc4)cc3)c2)c(OC)c1

Formula: C30H27NO6S

MW: 529.61 | LogP: 6.08

TPSA: 90.93

Patterns:

Resorcinol

Detail

Select ID 290 DB fairmol

OHD_MAC_43

ID 290

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 293 DB fairmol

Z49732247

ID 293

Cc1nc2ccccc2c(=O)n1/N=C\c1ccc(O)c(O)c1O

Formula: C16H13N3O4

MW: 311.30 | LogP: 1.70

TPSA: 107.94

Patterns:

Resorcinol

Detail

Select ID 296 DB fairmol

MK215

ID 296

Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(c1cnnn1CCc1cc(O)cc(O)c1)O2

Formula: C23H27N3O4

MW: 409.49 | LogP: 3.80

TPSA: 100.63

Patterns:

Resorcinol

Detail

Select ID 299 DB fairmol

OHD_MAC_4

ID 299

COc1cc(/C=N/Nc2ncnc3c(Nc4cccc(OCc5ccncc5)c4)ncnc23)cc(OC)c1OC

Formula: C28H26N8O4

MW: 538.57 | LogP: 4.61

TPSA: 137.79

Patterns:

Resorcinol

Detail

Select ID 303 DB fairmol

Z49549408

ID 303

Oc1ccc(/C=N/Nc2ccc(Cl)cc2)c(O)c1O

Formula: C13H11ClN2O3

MW: 278.70 | LogP: 2.90

TPSA: 85.08

Patterns:

Resorcinol

Detail

Select ID 384 DB fairmol

OHD_Leishmania_8

ID 384

C=C[C@@H](c1cc(CC=C(C)C)ccc1O)c1cc(CC=C(C)C)c(OC)cc1O

Formula: C26H32O3

MW: 392.54 | LogP: 6.44

TPSA: 49.69

Patterns:

Resorcinol

Detail

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