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Regex Pattern / motif 63 results

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63 results for Pattern / motif query

Cards

Pattern / motif 63 results DB Docking_panel_21

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Query interpretation

Pattern registry Vnos: azepane Azepane

Select ID 50 DB Docking_panel_21

OSA_Lib_272

ID 50

C[NH+]1CCN(CC[N@H+](C)[C@]23CNC[C@H]([C@@H](c4ccccc4)C2)[C@@H](c2ccccc2)C3)CC1

Formula: C28H42N4+2

MW: 434.67 | LogP: 0.65

TPSA: 24.15

Patterns:

Azepane

Detail

Select ID 67 DB Docking_panel_21

Z275595534

ID 67

O=C(Nc1cccc(S(=O)(=O)/N=C2/CCCCCN2)c1)c1cc(-c2ccco2)nc2ccccc12

Formula: C26H24N4O4S

MW: 488.57 | LogP: 5.00

TPSA: 113.66

Patterns:

Azepane

Detail

Select ID 74 DB Docking_panel_21

OSA_Lib_304

ID 74

C[N@H+](Cc1ccccn1)[C@@]12CNC[C@@H]([C@@H](c3ccccc3)C1)[C@H](c1ccccc1)C2

Formula: C27H32N3+

MW: 398.57 | LogP: 3.42

TPSA: 29.36

Patterns:

Azepane

Detail

Select ID 76 DB Docking_panel_21

OSA_Lib_303

ID 76

C[N@H+](Cc1cccnc1)[C@]12CNC[C@H]([C@@H](c3ccccc3)C1)[C@@H](c1ccccc1)C2

Formula: C27H32N3+

MW: 398.57 | LogP: 3.42

TPSA: 29.36

Patterns:

Azepane

Detail

Select ID 102 DB Docking_panel_21

OSA_Lib_277

ID 102

C[NH+]1CCN(CCCC[N@@H+](C)[C@]23CNC[C@H]([C@@H](c4ccccc4)C2)[C@H](c2ccccc2)C3)CC1

Formula: C30H46N4+2

MW: 462.73 | LogP: 1.43

TPSA: 24.15

Patterns:

Azepane

Detail

Select ID 112 DB Docking_panel_21

OSA_Lib_301

ID 112

C[N@@H+](Cc1ccc(N)cc1)[C@]12CNC[C@H]([C@@H](c3ccccc3)C1)[C@@H](c1ccccc1)C2

Formula: C28H34N3+

MW: 412.60 | LogP: 3.60

TPSA: 42.49

Patterns:

Azepane

Detail

Select ID 115 DB Docking_panel_21

OSA_Lib_281

ID 115

C[N@@H+](CCC[NH+]1CCCC1)[C@]12CNC[C@H]([C@@H](c3ccccc3)C1)[C@H](c1ccccc1)C2

Formula: C28H41N3+2

MW: 419.66 | LogP: 1.89

TPSA: 20.91

Patterns:

Azepane

Detail

Select ID 244 DB Docking_panel_21

OSA_Lib_278

ID 244

CN(CCCC[NH+]1CCCC1)[C@]12CNC[C@H]([C@H](c3ccccc3)C1)[C@H](c1ccccc1)C2

Formula: C29H42N3+

MW: 432.68 | LogP: 3.70

TPSA: 19.71

Patterns:

Azepane

Detail

Select ID 498 DB Docking_panel_21

OSA_Lib_316

ID 498

C[N@H+](Cc1ccc(C[NH3+])cc1)[C@]12CNC[C@H]([C@@H](c3ccccc3)C1)[C@@H](c1ccccc1)C2

Formula: C29H37N3+2

MW: 427.64 | LogP: 2.76

TPSA: 44.11

Patterns:

Azepane

Detail

Select ID 526 DB Docking_panel_21

OSA_Lib_315

ID 526

CN(Cc1ccc(C[NH+]2CCCC2)cc1)[C@]12CNC[C@H]([C@@H](c3ccccc3)C1)[C@@H](c1ccccc1)C2

Formula: C33H42N3+

MW: 480.72 | LogP: 4.62

TPSA: 19.71

Patterns:

Azepane

Detail

Select ID 528 DB Docking_panel_21

OSA_Lib_302

ID 528

C[N@H+](Cc1ccncc1)[C@]12CNC[C@H]([C@H](c3ccccc3)C1)[C@H](c1ccccc1)C2

Formula: C27H32N3+

MW: 398.57 | LogP: 3.42

TPSA: 29.36

Patterns:

Azepane

Detail

Select ID 1598 DB Docking_panel_21

OSA_Lib_302

ID 1598

C[N@@H+](Cc1ccncc1)[C@@]12CNC[C@@H]([C@@H](c3ccccc3)C1)[C@H](c1ccccc1)C2

Formula: C27H32N3+

MW: 398.57 | LogP: 3.42

TPSA: 29.36

Patterns:

Azepane

Detail

Select ID 1604 DB Docking_panel_21

OSA_Lib_22

ID 1604

C[NH+](C)[C@]12CCN[C@H]([C@@H](c3ccc(Cl)c(Cl)c3)C1)[C@H](c1ccc(Cl)c(Cl)c1)C2

Formula: C22H25Cl4N2+

MW: 459.27 | LogP: 5.21

TPSA: 16.47

Patterns:

Azepane

Detail

Select ID 1613 DB Docking_panel_21

OSA_Lib_301

ID 1613

C[N@@H+](Cc1ccc(N)cc1)[C@@]12CNC[C@@H]([C@@H](c3ccccc3)C1)[C@H](c1ccccc1)C2

Formula: C28H34N3+

MW: 412.60 | LogP: 3.60

TPSA: 42.49

Patterns:

Azepane

Detail

Select ID 1655 DB Docking_panel_21

OSA_Lib_316

ID 1655

C[N@@H+](Cc1ccc(C[NH3+])cc1)[C@]12CNC[C@H]([C@@H](c3ccccc3)C1)[C@H](c1ccccc1)C2

Formula: C29H37N3+2

MW: 427.64 | LogP: 2.76

TPSA: 44.11

Patterns:

Azepane

Detail

Select ID 1793 DB Docking_panel_21

OSA_Lib_281

ID 1793

C[N@H+](CCC[NH+]1CCCC1)[C@]12CNC[C@H]([C@H](c3ccccc3)C1)[C@H](c1ccccc1)C2

Formula: C28H41N3+2

MW: 419.66 | LogP: 1.89

TPSA: 20.91

Patterns:

Azepane

Detail

Select ID 1795 DB Docking_panel_21

OSA_Lib_278

ID 1795

C[N@H+](CCCC[NH+]1CCCC1)[C@]12CNC[C@H]([C@H](c3ccccc3)C1)[C@H](c1ccccc1)C2

Formula: C29H43N3+2

MW: 433.68 | LogP: 2.28

TPSA: 20.91

Patterns:

Azepane

Detail

Select ID 1799 DB Docking_panel_21

OSA_Lib_284

ID 1799

CC[NH+](CC)CCC[N@@H+](C)[C@]12CNC[C@H]([C@@H](c3ccccc3)C1)[C@H](c1ccccc1)C2

Formula: C28H43N3+2

MW: 421.67 | LogP: 2.14

TPSA: 20.91

Patterns:

Azepane

Detail

Select ID 1800 DB Docking_panel_21

OSA_Lib_67

ID 1800

Clc1ccc([C@@H]2C[C@]3([NH+]4CCCC4)CCN[C@H]2[C@H](c2ccc(Cl)c(Cl)c2)C3)cc1Cl

Formula: C24H27Cl4N2+

MW: 485.31 | LogP: 5.74

TPSA: 16.47

Patterns:

Azepane

Detail

Select ID 1807 DB Docking_panel_21

OSA_Lib_273

ID 1807

CN(CC[NH+]1CCCC1)[C@]12CNC[C@H]([C@H](c3ccccc3)C1)[C@H](c1ccccc1)C2

Formula: C27H38N3+

MW: 404.62 | LogP: 2.92

TPSA: 19.71

Patterns:

Azepane

Detail

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