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Regex Pattern / motif 24 results

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24 results for Pattern / motif query

Cards

Pattern / motif 24 results DB fairmol

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Query interpretation

Pattern registry Vnos: oxime Oxime

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:

Oxime

Detail

Select ID 221 DB fairmol

OSA_Lib_205

ID 221

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:

Oxime

Detail

Select ID 301 DB fairmol

OSA_Lib_119

ID 301

O/N=C1\C[C@]2([NH+]3CCCCC3)C[C@H](c3ccccc3)[C@H]1[C@@H](c1ccccc1)C2

Formula: C25H31N2O+

MW: 375.54 | LogP: 4.01

TPSA: 37.03

Patterns:

Oxime

Detail

Select ID 428 DB fairmol

OHD_Leishmania_393

ID 428

C=C(C)[C@@H]1CC[C@]2(/C=N/O)CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CC/C(=N\O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12

Formula: C30H48N2O2

MW: 468.73 | LogP: 7.93

TPSA: 65.18

Patterns:

Oxime

Detail

Select ID 1474 DB fairmol

ulfkktlib_3127

ID 1474

Cc1nnc(N/C=N/O)nc1C

Formula: C6H9N5O

MW: 167.17 | LogP: 0.32

TPSA: 83.29

Patterns:

Oxime

Detail

Select ID 1643 DB fairmol

ulfkktlib_3027

ID 1643

CN(C)c1nc(Cl)nc(N/C=N/O)n1

Formula: C6H9ClN6O

MW: 216.63 | LogP: 0.42

TPSA: 86.53

Patterns:

Oxime

Detail

Select ID 2090 DB fairmol

ulfkktlib_3194

ID 2090

CC1(C)N=Nc2c(N/C=N/O)cn3ncnc3c21

Formula: C10H11N7O

MW: 245.25 | LogP: 1.89

TPSA: 99.53

Patterns:

Oxime

Detail

Select ID 2092 DB fairmol

ulfkktlib_1140

ID 2092

C/C(=N/O)Nc1ccc2ncc(C(=O)c3ccccc3)n2n1

Formula: C15H13N5O2

MW: 295.30 | LogP: 2.18

TPSA: 91.88

Patterns:

Oxime

Detail

Select ID 3123 DB fairmol

OSA_Lib_158

ID 3123

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

Formula: C22H27N2O+

MW: 335.47 | LogP: 3.08

TPSA: 37.03

Patterns:

Oxime

Detail

Select ID 3198 DB fairmol

Z111781472

ID 3198

Cc1ccc2c(c1)/C(=N\O)C(=O)N2Cc1ccccc1

Formula: C16H14N2O2

MW: 266.30 | LogP: 2.72

TPSA: 52.90

Patterns:

Oxime

Detail

Select ID 3313 DB fairmol

OSA_Lib_205

ID 3313

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:

Oxime

Detail

Select ID 3474 DB fairmol

Z2939811157

ID 3474

O=C(O)/C(Cc1cccc(Cl)c1)=N\O

Formula: C9H8ClNO3

MW: 213.62 | LogP: 1.80

TPSA: 69.89

Patterns:

Oxime

Detail

Select ID 3882 DB fairmol

Z56777769

ID 3882

CCN(CC)S(=O)(=O)c1ccc2c(c1)C(=NO)c1cc(S(=O)(=O)N(CC)CC)ccc1-2

Formula: C21H27N3O5S2

MW: 465.60 | LogP: 2.95

TPSA: 107.35

Patterns:

Oxime

Detail

Select ID 4237 DB fairmol

Z199053426

ID 4237

O=C1Nc2cc(Br)ccc2/C1=C1\Nc2ccccc2\C1=N\O

Formula: C16H10BrN3O2

MW: 356.18 | LogP: 3.42

TPSA: 73.72

Patterns:

Oxime

Detail

Select ID 4396 DB fairmol

OSA_Lib_120

ID 4396

O/N=C1\C[C@@]2(N3CCCCC3)C[C@H](c3ccc(Cl)cc3)[C@@H]1[C@H](c1ccc(Cl)cc1)C2

Formula: C25H28Cl2N2O

MW: 443.42 | LogP: 6.73

TPSA: 35.83

Patterns:

Oxime

Detail

Select ID 4642 DB fairmol

OSA_Lib_153

ID 4642

C[NH+](C)[C@]12C/C(=N\O)[C@H]([C@@H](c3ccc(Cl)cc3)C1)[C@@H](c1ccc(Cl)cc1)C2

Formula: C22H25Cl2N2O+

MW: 404.36 | LogP: 4.39

TPSA: 37.03

Patterns:

Oxime

Detail

Select ID 4683 DB fairmol

OSA_Lib_120

ID 4683

O/N=C1\C[C@]2([NH+]3CCCCC3)C[C@H](c3ccc(Cl)cc3)[C@H]1[C@@H](c1ccc(Cl)cc1)C2

Formula: C25H29Cl2N2O+

MW: 444.43 | LogP: 5.31

TPSA: 37.03

Patterns:

Oxime

Detail

Select ID 5006 DB fairmol

OSA_Lib_147

ID 5006

O/N=C1\C[C@]2([NH+]3CCCC3)C[C@H](c3ccccc3)[C@H]1[C@@H](c1ccccc1)C2

Formula: C24H29N2O+

MW: 361.51 | LogP: 3.62

TPSA: 37.03

Patterns:

Oxime

Detail

Select ID 5017 DB fairmol

OSA_Lib_119

ID 5017

O/N=C1\C[C@]2(N3CCCCC3)C[C@H](c3ccccc3)[C@H]1[C@@H](c1ccccc1)C2

Formula: C25H30N2O

MW: 374.53 | LogP: 5.42

TPSA: 35.83

Patterns:

Oxime

Detail

Select ID 5028 DB fairmol

OSA_Lib_120

ID 5028

O/N=C1\C[C@]2(N3CCCCC3)C[C@H](c3ccc(Cl)cc3)[C@H]1[C@@H](c1ccc(Cl)cc1)C2

Formula: C25H28Cl2N2O

MW: 443.42 | LogP: 6.73

TPSA: 35.83

Patterns:

Oxime

Detail

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