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Regex Pattern / motif 27 results

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27 results for Pattern / motif query

Cards

Pattern / motif 27 results DB Docking_panel_21

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Query interpretation

Pattern registry Vnos: lactone Lactone

Select ID 33 DB Docking_panel_21

Z25378902

ID 33

CCc1ccc(Nc2nnc(S[C@@H]3CCOC3=O)s2)cc1

Formula: C14H15N3O2S2

MW: 321.43 | LogP: 3.25

TPSA: 64.11

Patterns:

Lactone

Detail

Select ID 411 DB Docking_panel_21

ulfkktlib_903

ID 411

O=C(CNC(=O)c1ccccc1)N/C=C1N=C(C(=C/c2ccccc2)/N=C(\O)c2ccccc2)OC/1=O

Formula: C28H22N4O5

MW: 494.51 | LogP: 3.38

TPSA: 129.45

Patterns:

Lactone

Detail

Select ID 519 DB Docking_panel_21

OHD_Leishmania_402

ID 519

CC1=C[C@@](O)(C[C@H](C)[C@]2(C)CC=C3C4=CC[C@@H]5C(C)(C)[C@H](O)CC[C@]5(C)[C@@H]4CC[C@@]32C)OC1=O

Formula: C30H44O4

MW: 468.68 | LogP: 6.09

TPSA: 66.76

Patterns:

Lactone

Detail

Select ID 543 DB Docking_panel_21

OHD_Leishmania_403

ID 543

CC1=C[C@@](O)(C[C@@H](C)[C@]2(C)CC[C@@H]3C4=CC[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)C4=CC[C@@]32C)OC1=O

Formula: C30H44O4

MW: 468.68 | LogP: 6.09

TPSA: 66.76

Patterns:

Lactone

Detail

Select ID 643 DB Docking_panel_21

ulfkktlib_926

ID 643

O=C(N[C@H]1C(=O)N2[C@@H]3C(=O)OC(=O)[C@@H]3[C@@H](c3ccccc3)N2[C@@H]1c1ccccc1)c1ccccc1

Formula: C27H21N3O5

MW: 467.48 | LogP: 2.41

TPSA: 96.02

Patterns:

Lactone

Detail

Select ID 749 DB Docking_panel_21

TC268

ID 749

C[C@]12CC[C@H](O)CC1=C/C(=N/OCC(=O)NCCOCCOCCNC(=S)Nc1ccc3c(c1)C(=O)OC31c3ccc(O)cc3Oc3cc(O)ccc31)[C@@H]1[C@H]2CC[C@@]2(C)[C@H]1CC[C@@]21O[C@@H]1CO

Formula: C50H58N4O12S

MW: 939.10 | LogP: 5.54

TPSA: 222.19

Patterns:

Lactone

Detail

Select ID 1373 DB Docking_panel_21

OHD_DCM_46

ID 1373

O=C1OC(=O)c2ccc(N3CC[NH2+]CC3)c3cccc1c23

Formula: C16H15N2O3+

MW: 283.31 | LogP: 0.53

TPSA: 63.22

Patterns:

Lactone

Detail

Select ID 1476 DB Docking_panel_21

ulfkktlib_2067

ID 1476

O=C(N[C@@H]1COC(=O)/C1=C/Nc1cccc(O)c1)OCc1ccccc1

Formula: C19H18N2O5

MW: 354.36 | LogP: 2.54

TPSA: 96.89

Patterns:

Lactone

Detail

Select ID 2089 DB Docking_panel_21

OHD_TC1_39

ID 2089

O=C1Oc2ccccc2[C@@H]2C[C@@H](/C=C/c3ccccc3)[C@H](c3ccccc3)[C@H]12

Formula: C26H22O2

MW: 366.46 | LogP: 5.82

TPSA: 26.30

Patterns:

Lactone

Detail

Select ID 2092 DB Docking_panel_21

OHD_TbNat_115

ID 2092

CC/C=C(\C)[C@@H](O)CC[C@@H](C)/C=C/[C@@H]1CC[C@@H](C)C(=O)CC(=O)N[C@@H](C)CCC(=O)[C@@H](C)[C@H](O)[C@@H](C)/C=C(\C)C(=O)O1

Formula: C34H55NO7

MW: 589.81 | LogP: 5.41

TPSA: 130.00

Patterns:

Lactone

Detail

Select ID 2095 DB Docking_panel_21

OHD_Leishmania_403

ID 2095

CC1=C[C@@](O)(C[C@@H](C)[C@@]2(C)CC[C@@H]3C4=CC[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)C4=CC[C@@]32C)OC1=O

Formula: C30H44O4

MW: 468.68 | LogP: 6.09

TPSA: 66.76

Patterns:

Lactone

Detail

Select ID 2097 DB Docking_panel_21

OHD_Leishmania_402

ID 2097

CC1=C[C@@](O)(C[C@@H](C)[C@]2(C)CC=C3C4=CC[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]32C)OC1=O

Formula: C30H44O4

MW: 468.68 | LogP: 6.09

TPSA: 66.76

Patterns:

Lactone

Detail

Select ID 2106 DB Docking_panel_21

OHD_Leishmania_61

ID 2106

C/C1=C/C(=O)O[C@H](C(C)(C)C)CCC[C@H](O)CCC[C@@H](O)CCC[C@@H](O)CCC[C@@H](O)CCC[C@H](O)CCC[C@@H](O)CCC[C@@H](O)CCCCC[C@H](O)C1

Formula: C44H84O10

MW: 773.15 | LogP: 7.32

TPSA: 188.14

Patterns:

Lactone

Detail

Select ID 2108 DB Docking_panel_21

OHD_Leishmania_404

ID 2108

CC1=C[C@](O)(C[C@@H](C)[C@@]2(C)CC=C3C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]32C)OC1=O

Formula: C30H42O4

MW: 466.66 | LogP: 6.30

TPSA: 63.60

Patterns:

Lactone

Detail

Select ID 2410 DB Docking_panel_21

OHD_Leishmania_61

ID 2410

C/C1=C/C(=O)O[C@H](C(C)(C)C)CCC[C@H](O)CCC[C@H](O)CCC[C@@H](O)CCC[C@@H](O)CCC[C@H](O)CCC[C@@H](O)CCC[C@@H](O)CCCCC[C@H](O)C1

Formula: C44H84O10

MW: 773.15 | LogP: 7.32

TPSA: 188.14

Patterns:

Lactone

Detail

Select ID 2421 DB Docking_panel_21

OHD_Leishmania_214

ID 2421

COc1cc([C@@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccccc5)coc4c32)ccc1O

Formula: C25H18O6

MW: 414.41 | LogP: 4.62

TPSA: 85.97

Patterns:

Lactone

Detail

Select ID 2492 DB Docking_panel_21

OHD_Leishmania_329

ID 2492

CC1=C(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@@H]3[C@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1

Formula: C44H56O6Si

MW: 709.01 | LogP: 6.94

TPSA: 85.36

Patterns:

Lactone

Detail

Select ID 2767 DB Docking_panel_21

OHD_Babesia_18

ID 2767

CC[C@H](C)[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@H](O[C@H]3C[C@H](OC)[C@H](O[C@H]4C[C@H](OC)[C@H](O)[C@@H](C)O4)[C@H](C)O3)[C@H](C)/C=C/C=C3\CO[C@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@@]34O)O2

Formula: C48H74O14

MW: 875.11 | LogP: 5.60

TPSA: 170.06

Patterns:

Lactone

Detail

Select ID 2797 DB Docking_panel_21

Z1541760033

ID 2797

CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC

Formula: C33H38N4O6

MW: 586.69 | LogP: 4.09

TPSA: 114.20

Patterns:

Lactone

Detail

Select ID 2808 DB Docking_panel_21

TC268

ID 2808

C[C@]12CC[C@H](O)CC1=C/C(=N/OCC(=O)NCCOCCOCCNC(=S)Nc1ccc3c(c1)C(=O)OC31c3ccc(O)cc3Oc3cc(O)ccc31)[C@@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@@]21O[C@@H]1CO

Formula: C50H58N4O12S

MW: 939.10 | LogP: 5.54

TPSA: 222.19

Patterns:

Lactone

Detail

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