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Regex Pattern / motif 743 results

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743 results for Pattern / motif query

Cards

Pattern / motif 743 results DB fairmol

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Query interpretation

Pattern registry Vnos: lactam Lactam

Select ID 39 DB fairmol

Z29700516

ID 39

Cc1ccc(Cl)cc1N1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)CC1

Formula: C24H31ClN4O3S

MW: 491.06 | LogP: 3.46

TPSA: 64.17

Patterns:

Lactam

Detail

Select ID 63 DB fairmol

Z30164433

ID 63

C[C@@H]1C[C@@H](C)CN(C(=O)c2cccc(S(=O)(=O)N3c4ccccc4C[C@H]3C)c2)C1

Formula: C23H28N2O3S

MW: 412.56 | LogP: 3.94

TPSA: 57.69

Patterns:

Lactam

Detail

Select ID 64 DB fairmol

ulfkktlib_769

ID 64

O=C(N[C@H]1C(=O)N2C[C@H](C(=O)O)[C@@H](c3c(Cl)cccc3Cl)N2[C@@H]1c1ccccc1)OCc1ccccc1

Formula: C27H23Cl2N3O5

MW: 540.40 | LogP: 4.84

TPSA: 99.18

Patterns:

Lactam

Detail

Select ID 69 DB fairmol

Z30879420

ID 69

O=C(c1cc2ccccc2cc1O)N1CCN(c2ccccc2O)CC1

Formula: C21H20N2O3

MW: 348.40 | LogP: 3.21

TPSA: 64.01

Patterns:

Lactam

Detail

Select ID 75 DB fairmol

ulfkktlib_689

ID 75

O=C(N[C@@H]1C(=O)N/[N+](=C\c2c(Cl)cccc2Cl)[C@H]1c1c[nH]c2ccccc12)c1ccccc1

Formula: C25H19Cl2N4O2+

MW: 478.36 | LogP: 4.49

TPSA: 77.00

Patterns:

Lactam

Detail

Select ID 92 DB fairmol

OHD_Leishmania_88

ID 92

O=C(Cc1ccc(F)c(F)c1)N1CCC(Nc2ccc3c(C4CCOCC4)[nH]nc3c2)CC1

Formula: C25H28F2N4O2

MW: 454.52 | LogP: 4.38

TPSA: 70.25

Patterns:

Lactam

Detail

Select ID 95 DB fairmol

OSA_Lib_151

ID 95

O=C1C[C@]2([NH+]3CCCC3)C[C@H](c3ccc(Cl)cc3)[C@H](N1)[C@@H](c1ccc(Cl)cc1)C2

Formula: C24H27Cl2N2O+

MW: 430.40 | LogP: 3.96

TPSA: 33.54

Patterns:

Lactam

Detail

Select ID 103 DB fairmol

OSA_Lib_249

ID 103

C[NH+](C)[C@]12CCN(C(=O)CC[NH+]3CCCCC3)[C@H]([C@@H](c3ccccc3)C1)[C@H](c1ccccc1)C2

Formula: C30H43N3O+2

MW: 461.69 | LogP: 2.29

TPSA: 29.19

Patterns:

Lactam

Detail

Select ID 108 DB fairmol

KB_HAT_25

ID 108

Cc1ccc(S(=O)(=O)Nc2ccc(C[NH+]3CCN(C(=O)c4cccc(C#N)c4)CC3)cc2)cc1

Formula: C26H27N4O3S+

MW: 475.59 | LogP: 2.21

TPSA: 94.71

Patterns:

Lactam

Detail

Select ID 115 DB fairmol

Z57907392

ID 115

COCCN1C(=O)c2n[nH]c(-c3ccccc3O)c2[C@@H]1c1ccc(SC)cc1

Formula: C21H21N3O3S

MW: 395.48 | LogP: 3.70

TPSA: 78.45

Patterns:

Lactam

Detail

Select ID 119 DB fairmol

Z220539038

ID 119

O=C(c1ccc(-c2ccccc2)cc1)N1CCC(c2[nH]c3ccccc3[nH+]2)CC1

Formula: C25H24N3O+

MW: 382.49 | LogP: 4.67

TPSA: 50.24

Patterns:

Lactam

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:

Lactam

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:

Lactam

Detail

Select ID 145 DB fairmol

Z33269755

ID 145

COc1ccc(NC(=O)c2ccc3c(c2)NC(=O)CS3)cc1S(=O)(=O)Nc1ccc(Br)cc1

Formula: C22H18BrN3O5S2

MW: 548.44 | LogP: 4.56

TPSA: 113.60

Patterns:

Lactam

Detail

Select ID 147 DB fairmol

OHD_Leishmania_87

ID 147

COc1ccccc1-c1n[nH]c2cc(NC3CCN(C(=O)CC4CC4)CC3)ccc12

Formula: C24H28N4O2

MW: 404.51 | LogP: 4.44

TPSA: 70.25

Patterns:

Lactam

Detail

Select ID 160 DB fairmol

OSA_Lib_359

ID 160

O=C(CN1CCCCC1)N1CC[C@@]2([NH+]3CCCC3)C[C@H](c3ccccc3)[C@@H]1[C@H](c1ccccc1)C2

Formula: C31H42N3O+

MW: 472.70 | LogP: 3.85

TPSA: 27.99

Patterns:

Lactam

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:

Lactam

Detail

Select ID 173 DB fairmol

Z26973046

ID 173

O=C(c1nn(Cc2ccccc2)c(=O)c2ccccc12)N1CCC(c2nc3ccccc3o2)CC1

Formula: C28H24N4O3

MW: 464.53 | LogP: 4.61

TPSA: 81.23

Patterns:

Lactam

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:

Lactam

Detail

Select ID 177 DB fairmol

OSA_Lib_348

ID 177

C[NH+](C)[C@]12CCN(C(=O)c3cccnc3)[C@H]([C@H](c3ccccc3)C1)[C@H](c1ccccc1)C2

Formula: C28H32N3O+

MW: 426.58 | LogP: 3.54

TPSA: 37.64

Patterns:

Lactam

Detail

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