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Regex Pattern / motif 822 results

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822 results for Pattern / motif query

Cards

Pattern / motif 822 results DB fairmol

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Query interpretation

Pattern registry Vnos: alkene Alkene

Select ID 5 DB fairmol

Z45956756

ID 5

Oc1cccc(/C=C\c2ccc3cccc(O)c3[nH+]2)c1

Formula: C17H14NO2+

MW: 264.30 | LogP: 3.24

TPSA: 54.60

Patterns:

Alkene

Detail

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:

Alkene

Detail

Select ID 32 DB fairmol

KB_chagas_102

ID 32

Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)/C=C\c1sc2ccccc2c1Cl

Formula: C22H24ClN3O3S2

MW: 478.04 | LogP: 4.40

TPSA: 72.27

Patterns:

Alkene

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:

Alkene

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:

Alkene

Detail

Select ID 50 DB fairmol

Z24181579

ID 50

C=CCn1c(SCC(=O)NCc2ccc3c(c2)OCO3)nnc1[C@@H]1COc2ccccc2O1

Formula: C23H22N4O5S

MW: 466.52 | LogP: 3.11

TPSA: 96.73

Patterns:

Alkene

Detail

Select ID 114 DB fairmol

OHD_Leishmania_482

ID 114

NC(=S)N/N=C(\C=C\c1cccnc1)c1cccc(NC(=O)Nc2ccc(Cl)cc2)c1

Formula: C22H19ClN6OS

MW: 450.96 | LogP: 4.63

TPSA: 104.43

Patterns:

Alkene

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:

Alkene

Detail

Select ID 121 DB fairmol

CKP-41

ID 121

COc1cccc2c1[n+](C/C=C/c1ccc(Cl)cc1)cn2Cc1ccc(-c2ccccc2)cc1

Formula: C30H26ClN2O+

MW: 466.00 | LogP: 7.02

TPSA: 18.04

Patterns:

Alkene

Detail

Select ID 123 DB fairmol

OHD_ACDS_73

ID 123

C=CCc1cc(Cn2cc(-c3nc4ccccc4c(=O)[nH]3)nn2)c(O)c(OC)c1

Formula: C21H19N5O3

MW: 389.42 | LogP: 2.67

TPSA: 105.92

Patterns:

Alkene

Detail

Select ID 127 DB fairmol

OHD_TB2019_4

ID 127

O=C1Nc2cc(Br)ccc2/C1=C1/Nc2ccccc2/C1=N\OCC[NH+]1CCN(C2CCCC2)CC1

Formula: C27H31BrN5O2+

MW: 537.48 | LogP: 3.10

TPSA: 70.40

Patterns:

Alkene

Detail

Select ID 130 DB fairmol

OHD_TB2021_72

ID 130

Cc1ccc(C[C@@H](NC(=O)c2ccncc2)C(=O)N[C@H](/C=C(\F)S(=O)(=O)Oc2ccccc2)CCc2ccccc2)cc1

Formula: C33H32FN3O5S

MW: 601.70 | LogP: 5.07

TPSA: 114.46

Patterns:

Alkene

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:

Alkene

Detail

Select ID 161 DB fairmol

Z44349777

ID 161

COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1OC

Formula: C18H17N3O5S

MW: 387.42 | LogP: 1.90

TPSA: 131.51

Patterns:

Alkene

Detail

Select ID 163 DB fairmol

OHD_TbNat_97

ID 163

C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@@H](CC[C@H]4[C@@]5(C)C[C@@H](O)[C@H](OC(=O)/C=C/c6ccc(O)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12

Formula: C39H54O6

MW: 618.85 | LogP: 8.03

TPSA: 104.06

Patterns:

Alkene

Detail

Select ID 168 DB fairmol

ulfkktlib_1233

ID 168

Cc1cc(C)nc(/N=C/c2nc(/C(=C/c3ccccc3)NC(=O)c3ccccc3)oc2O)n1

Formula: C25H21N5O3

MW: 439.48 | LogP: 4.47

TPSA: 113.50

Patterns:

Alkene

Detail

Select ID 176 DB fairmol

OSA_Lib_200

ID 176

C[NH+](C)[C@@]12C[C@H](c3ccccc3)[C@@H]([C@H](OC(=O)/C=C/c3ccccc3)C1)[C@H](c1ccccc1)C2

Formula: C31H34NO2+

MW: 452.62 | LogP: 4.88

TPSA: 30.74

Patterns:

Alkene

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:

Alkene

Detail

Select ID 180 DB fairmol

OSA_Lib_101

ID 180

O=C(/C=C/c1ccccc1)O[C@H]1C[C@@]2([NH+]3CCCC3)C[C@H](c3ccccc3)[C@@H]1[C@H](c1ccccc1)C2

Formula: C33H36NO2+

MW: 478.66 | LogP: 5.41

TPSA: 30.74

Patterns:

Alkene

Detail

Select ID 183 DB fairmol

CKP-42

ID 183

COc1cccc2c1[n+](C/C=C/c1ccc([N+](=O)O)cc1)cn2Cc1ccc2ccccc2c1

Formula: C28H25N3O3+2

MW: 451.53 | LogP: 5.65

TPSA: 58.35

Patterns:

Alkene

Detail

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