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Regex Pattern / motif 935 results

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935 results for Pattern / motif query

Cards

Pattern / motif 935 results DB fairmol

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Query interpretation

Pattern registry Vnos: imine Imine

Select ID 1 DB fairmol

OHD_TC2_31

ID 1

NC(=S)N/N=C/c1ccc(-c2ccc(Br)cc2Cl)o1

Formula: C12H9BrClN3OS

MW: 358.65 | LogP: 3.53

TPSA: 63.55

Patterns:

Imine

Detail

Select ID 28 DB fairmol

Z56784505

ID 28

O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C\c1ccc(Br)cc1)c1cccs1

Formula: C23H19BrN4O2S

MW: 495.40 | LogP: 4.48

TPSA: 86.35

Patterns:

Imine

Detail

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:

Imine

Detail

Select ID 51 DB fairmol

Z56821211

ID 51

Cn1c(SCC(=O)N/N=C\c2ccc(O)c(O)c2)nc2ccccc21

Formula: C17H16N4O3S

MW: 356.41 | LogP: 2.23

TPSA: 99.74

Patterns:

Imine

Detail

Select ID 55 DB fairmol

Z49728376

ID 55

COc1cc(/C=N\NC(=O)[C@H]2COc3ccccc3O2)ccc1O

Formula: C17H16N2O5

MW: 328.32 | LogP: 1.69

TPSA: 89.38

Patterns:

Imine

Detail

Select ID 86 DB fairmol

OHD_MV-37

ID 86

NC1=NC(=[NH2+])N(c2ccc(Cl)cc2)[C@@]2(CCC[N@@H+](Cc3ccccc3)C2)N1

Formula: C20H25ClN6+2

MW: 384.92 | LogP: -0.25

TPSA: 83.68

Patterns:

Imine

Detail

Select ID 88 DB fairmol

OHD_MV-42

ID 88

Cc1ccc(N2C(=[NH2+])N=C(N)N[C@]23CCC[N@@H+](Cc2ccccc2)C3)cc1

Formula: C21H28N6+2

MW: 364.50 | LogP: -0.59

TPSA: 83.68

Patterns:

Imine

Detail

Select ID 101 DB fairmol

Z57388199

ID 101

Cc1nn(-c2ccccc2)c(C)c1/C=N\NC(=O)c1cc(-c2cccc3ccccc23)[nH]n1

Formula: C26H22N6O

MW: 434.50 | LogP: 4.80

TPSA: 87.96

Patterns:

Imine

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:

Imine

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:

Imine

Detail

Select ID 132 DB fairmol

Z57985071

ID 132

O=C(C[C@H]1S/C(=N\c2ccccc2)N(CCc2c[nH]c3ccccc23)C1=O)Nc1ccccc1F

Formula: C27H23FN4O2S

MW: 486.57 | LogP: 5.51

TPSA: 77.56

Patterns:

Imine

Detail

Select ID 138 DB fairmol

Z49691086

ID 138

CC(=O)Nc1cccc(/C(C)=N\NC(=O)c2ccc(CN(Cc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)cc2)c1

Formula: C31H29ClN4O4S

MW: 589.12 | LogP: 5.84

TPSA: 107.94

Patterns:

Imine

Detail

Select ID 146 DB fairmol

KB_HAT_192

ID 146

O=[S@@]1N=C(NCCCN(Cc2ccc(F)cc2)c2cccc[nH+]2)C(NCc2ccncc2)=N1

Formula: C23H25FN7OS+

MW: 466.57 | LogP: 2.20

TPSA: 96.12

Patterns:

Imine

Detail

Select ID 165 DB fairmol

KB_HAT_6

ID 165

COc1ccc([C@H]2CC(c3ccccc3Cl)=NN2C(=O)CNC(=O)C2CCCC2)cc1

Formula: C24H26ClN3O3

MW: 439.94 | LogP: 4.33

TPSA: 71.00

Patterns:

Imine

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:

Imine

Detail

Select ID 171 DB fairmol

Z56815608

ID 171

COc1ccc2nc(/N=C(/N)NC(=O)Nc3ccccc3)nc(C)c2c1

Formula: C18H18N6O2

MW: 350.38 | LogP: 2.71

TPSA: 114.52

Patterns:

Imine

Detail

Select ID 175 DB fairmol

OHD_Leishmania_479

ID 175

O=C(Nc1ccc(Cl)cc1)Nc1cccc(C2=NN(C(=O)c3cccnc3)[C@@H](c3cccnc3)C2)c1

Formula: C27H21ClN6O2

MW: 496.96 | LogP: 5.77

TPSA: 99.58

Patterns:

Imine

Detail

Select ID 190 DB fairmol

OSA_Lib_209

ID 190

O/N=C1\C[C@]2([NH+]3CCCC3)C[C@H](c3ccc(Cl)cc3)[C@H]1[C@@H](c1ccc(Cl)cc1)C2

Formula: C24H27Cl2N2O+

MW: 430.40 | LogP: 4.92

TPSA: 37.03

Patterns:

Imine

Detail

Select ID 197 DB fairmol

Z29294093

ID 197

N/C(O)=C1\C=C(c2ccccc2)S\C1=N/C(=O)Cc1ccc(S(=O)(=O)N2CCOCC2)s1

Formula: C21H21N3O5S3

MW: 491.62 | LogP: 2.75

TPSA: 122.29

Patterns:

Imine

Detail

Select ID 208 DB fairmol

ulfkktlib_903

ID 208

O=C(CNC(=O)c1ccccc1)N/C=C1N=C(/C(=C/c2ccccc2)NC(=O)c2ccccc2)OC/1=O

Formula: C28H22N4O5

MW: 494.51 | LogP: 2.80

TPSA: 125.96

Patterns:

Imine

Detail

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