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Regex Pattern / motif 11 results

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11 results for Pattern / motif query

Cards

Pattern / motif 11 results DB Docking_panel_21

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Query interpretation

Pattern registry Vnos: oxime Oxime

Select ID 757 DB Docking_panel_21

ulfkktlib_3504

ID 757

Cc1nnc(N/C=N/O)nc1C

Formula: C6H9N5O

MW: 167.17 | LogP: 0.32

TPSA: 83.29

Patterns:

Oxime

Detail

Select ID 1899 DB Docking_panel_21

OSA_Lib_205

ID 1899

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 2010 DB Docking_panel_21

ulfkktlib_3498

ID 2010

O=c1nc(O)[nH]cc1N/C=N/O

Formula: C5H6N4O3

MW: 170.13 | LogP: -0.70

TPSA: 110.60

Patterns:

Oxime

Detail

Select ID 2406 DB Docking_panel_21

Z111781472

ID 2406

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

Formula: C16H14N2O2

MW: 266.30 | LogP: 2.72

TPSA: 52.90

Patterns:

Oxime

Detail

Select ID 2437 DB Docking_panel_21

Z199053426

ID 2437

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 2696 DB Docking_panel_21

OSA_Lib_120

ID 2696

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 2995 DB Docking_panel_21

OSA_Lib_119

ID 2995

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 3010 DB Docking_panel_21

OSA_Lib_209

ID 3010

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 3054 DB Docking_panel_21

OSA_Lib_120

ID 3054

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 3497 DB Docking_panel_21

ulfkktlib_246

ID 3497

CC1(C)[C@@H](/C(=N\O)C(=O)c2ccccc2)CC[C@@]1(C)O

Formula: C16H21NO3

MW: 275.35 | LogP: 2.89

TPSA: 69.89

Patterns:

Oxime

Detail

Select ID 3498 DB Docking_panel_21

ulfkktlib_243

ID 3498

CC1(C)[C@@H](/C(=N\O)C(=O)c2ccc(F)cc2)CC[C@@]1(C)O

Formula: C16H20FNO3

MW: 293.34 | LogP: 3.03

TPSA: 69.89

Patterns:

Oxime

Detail