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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 fairmol

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Query interpretation

Pattern registry Vnos: pyrazolidine Pyrazolidine

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:

Pyrazolidine

Detail

Select ID 271 DB fairmol

ulfkktlib_690

ID 271

O=C(N[C@@H]1C(=O)N/[N+](=C\c2ccccc2)[C@H]1c1c[nH]c2ccccc12)c1ccccc1

Formula: C25H21N4O2+

MW: 409.47 | LogP: 3.18

TPSA: 77.00

Patterns:

Pyrazolidine

Detail

Select ID 376 DB fairmol

ulfkktlib_697

ID 376

C[C@@H]1[C@H]2CC=C(/C=[N+]3\NC(=O)[C@@H](NC(=O)c4ccccc4)[C@@H]3c3ccccc3)[C@]1(C)C2

Formula: C26H28N3O2+

MW: 414.53 | LogP: 3.65

TPSA: 61.21

Patterns:

Pyrazolidine

Detail

Select ID 466 DB fairmol

ulfkktlib_686

ID 466

COc1ccc([C@H]2[C@H](NC(=O)c3ccccc3)C(=O)N/[N+]2=C\c2ccc(Cl)cc2Cl)cc1

Formula: C24H20Cl2N3O3+

MW: 469.35 | LogP: 4.02

TPSA: 70.44

Patterns:

Pyrazolidine

Detail

Select ID 1110 DB fairmol

ulfkktlib_1229

ID 1110

O=C(N[C@H]1C(=O)N/[N+](=C\c2c(Cl)cccc2Cl)[C@@H]1[C@@H]1C[NH2+]c2ccccc21)c1ccccc1

Formula: C25H22Cl2N4O2+2

MW: 481.38 | LogP: 2.63

TPSA: 77.82

Patterns:

Pyrazolidine

Detail

Select ID 3138 DB fairmol

ulfkktlib_693

ID 3138

O=C(N[C@@H]1C(=O)N/[N+](=C\c2ccc(O)cc2)[C@H]1c1ccccc1)c1ccccc1

Formula: C23H20N3O3+

MW: 386.43 | LogP: 2.41

TPSA: 81.44

Patterns:

Pyrazolidine

Detail

Select ID 3926 DB fairmol

ulfkktlib_2320

ID 3926

O=C(N[C@@H]1CN(/C=C2\C(=O)N[C@@H](Cc3ccccc3)C2=O)NC1=O)OCc1ccccc1

Formula: C23H22N4O5

MW: 434.45 | LogP: 0.82

TPSA: 116.84

Patterns:

Pyrazolidine

Detail

Select ID 4105 DB fairmol

ulfkktlib_2504

ID 4105

O=C1C[C@H](c2ccccc2)N(Cc2ccc(O)cc2)N1

Formula: C16H16N2O2

MW: 268.32 | LogP: 2.37

TPSA: 52.57

Patterns:

Pyrazolidine

Detail

Select ID 4434 DB fairmol

ulfkktlib_774

ID 4434

O=C(N[C@H]1C(=O)N/[N+](=C\c2ccc(Cl)cc2Cl)[C@@H]1c1ccccc1)OCc1ccccc1

Formula: C24H20Cl2N3O3+

MW: 469.35 | LogP: 4.51

TPSA: 70.44

Patterns:

Pyrazolidine

Detail

Select ID 5405 DB fairmol

ulfkktlib_1229

ID 5405

O=C(N[C@H]1C(=O)N/[N+](=C\c2c(Cl)cccc2Cl)[C@@H]1[C@@H]1CNc2ccccc21)c1ccccc1

Formula: C25H21Cl2N4O2+

MW: 480.38 | LogP: 3.85

TPSA: 73.24

Patterns:

Pyrazolidine

Detail

Select ID 5502 DB fairmol

ulfkktlib_404

ID 5502

COc1ccc([C@H]2NNC(=O)[C@@H]2NC(=O)c2ccccc2)cc1

Formula: C17H17N3O3

MW: 311.34 | LogP: 1.17

TPSA: 79.46

Patterns:

Pyrazolidine

Detail