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Regex Pattern / motif 440 results

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440 results for Pattern / motif query

Cards

Pattern / motif 440 results DB fairmol

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Query interpretation

Pattern registry Vnos: ketone Ketone

Select ID 8 DB fairmol

Z46109754

ID 8

Cc1cccc(/C=C\C(=O)c2ccc(NC3=[NH+]CCCS3)cc2)c1

Formula: C20H21N2OS+

MW: 337.47 | LogP: 2.88

TPSA: 43.07

Patterns:

Ketone

Detail

Select ID 35 DB fairmol

TC165

ID 35

COc1ccc(C#CC(=O)[C@H]2CC[C@@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)c(C)c1

Formula: C30H38O3

MW: 446.63 | LogP: 5.86

TPSA: 46.53

Patterns:

Ketone

Detail

Select ID 41 DB fairmol

Z55505580

ID 41

Cc1ccc(O)c(C(=O)c2cnn(C(=O)COc3ccc(Cl)cc3)c2)c1

Formula: C19H15ClN2O4

MW: 370.79 | LogP: 3.50

TPSA: 81.42

Patterns:

Ketone

Detail

Select ID 49 DB fairmol

TC164

ID 49

Cc1cc(C)c(C#CC(=O)[C@H]2CC[C@@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)cc1C

Formula: C31H40O2

MW: 444.66 | LogP: 6.47

TPSA: 37.30

Patterns:

Ketone

Detail

Select ID 91 DB fairmol

Z56842660

ID 91

CNc1sc(C(=O)c2ccccc2F)c(N)c1-c1nc2ccccc2s1

Formula: C19H14FN3OS2

MW: 383.47 | LogP: 5.02

TPSA: 68.01

Patterns:

Ketone

Detail

Select ID 96 DB fairmol

Z56842667

ID 96

CNc1sc(C(=O)c2ccc(F)cc2)c(N)c1-c1nc2ccccc2s1

Formula: C19H14FN3OS2

MW: 383.47 | LogP: 5.02

TPSA: 68.01

Patterns:

Ketone

Detail

Select ID 102 DB fairmol

OHD_TC1_11

ID 102

O=C(C[C@@H](Nc1ccc2ccccc2c1)c1ccncc1)c1ccc(Br)cc1

Formula: C24H19BrN2O

MW: 431.33 | LogP: 6.42

TPSA: 41.99

Patterns:

Ketone

Detail

Select ID 117 DB fairmol

TC71

ID 117

C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OS(=O)(=O)O)CC[C@@]43C)[C@H]1CC[C@@H]2C(=O)C#Cc1ccccc1

Formula: C28H34O5S

MW: 482.64 | LogP: 5.37

TPSA: 80.67

Patterns:

Ketone

Detail

Select ID 136 DB fairmol

Z55547277

ID 136

COc1cccc(CN2CC(=O)C(c3nc(-c4ccc(Cl)cc4)cs3)=C2N)c1

Formula: C21H18ClN3O2S

MW: 411.91 | LogP: 4.18

TPSA: 68.45

Patterns:

Ketone

Detail

Select ID 154 DB fairmol

Z54938583

ID 154

COc1ccc(-c2nnc(S[C@H](C(=O)c3c[nH]c4ccccc34)c3ccccc3)n2N)cc1OC

Formula: C26H23N5O3S

MW: 485.57 | LogP: 4.87

TPSA: 108.05

Patterns:

Ketone

Detail

Select ID 178 DB fairmol

TC72

ID 178

C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OS(=O)(=O)O)CC[C@@]43C)[C@H]1CC[C@@H]2C(=O)C#CCc1ccccc1

Formula: C29H36O5S

MW: 496.67 | LogP: 5.57

TPSA: 80.67

Patterns:

Ketone

Detail

Select ID 189 DB fairmol

Z46589685

ID 189

O=C(/C=C\c1ccc(O)c(O)c1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1

Formula: C21H23NO5S

MW: 401.48 | LogP: 3.56

TPSA: 94.91

Patterns:

Ketone

Detail

Select ID 192 DB fairmol

OHD_TC1_206

ID 192

O=C1C(=O)c2ccccc2C(O)=C1[C@@H](Sc1ccc(Cl)cc1)c1cn(-c2cc(Cl)cc(Cl)c2)nn1

Formula: C25H14Cl3N3O3S

MW: 542.83 | LogP: 6.80

TPSA: 85.08

Patterns:

Ketone

Detail

Select ID 204 DB fairmol

Z26548007

ID 204

N#Cc1cccc(NC(=O)CSc2ccc3c4c(cccc24)C(=O)c2ccccc2-3)c1

Formula: C26H16N2O2S

MW: 420.49 | LogP: 5.65

TPSA: 69.96

Patterns:

Ketone

Detail

Select ID 212 DB fairmol

Z57116466

ID 212

Cc1ccc2[nH]c(=O)c(C(=O)/C=C\c3ccccc3Cl)c(-c3ccccc3)c2c1

Formula: C25H18ClNO2

MW: 399.88 | LogP: 6.05

TPSA: 49.93

Patterns:

Ketone

Detail

Select ID 224 DB fairmol

TC88

ID 224

Cn1cc(CC(=O)c2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)c2ccccc21

Formula: C33H27N3O

MW: 481.60 | LogP: 6.64

TPSA: 39.82

Patterns:

Ketone

Detail

Select ID 247 DB fairmol

ulfkktlib_973

ID 247

CC(=O)c1ccc(-c2ccsc2-c2cc3ccccc3c[nH+]2)cc1

Formula: C21H16NOS+

MW: 330.43 | LogP: 5.25

TPSA: 31.21

Patterns:

Ketone

Detail

Select ID 254 DB fairmol

OHD_Leishmania_313

ID 254

O=C(/C=C(/CCCO)NCC/N=C(/C=C(/O)c1ccc2c(c1)Cc1ccccc1-2)CCCO)c1ccc2c(c1)Cc1ccccc1-2

Formula: C40H40N2O4

MW: 612.77 | LogP: 7.07

TPSA: 102.15

Patterns:

Ketone

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:

Ketone

Detail

Select ID 294 DB fairmol

Z56971423

ID 294

Nc1cccc(C(=O)OCC(=O)Nc2cccc3c2C(=O)c2ccccc2C3=O)c1

Formula: C23H16N2O5

MW: 400.39 | LogP: 2.84

TPSA: 115.56

Patterns:

Ketone

Detail

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