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Jasen preklop med dedupliciranimi compounds in posameznimi samples.
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Compounds 5571 Samples 0
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13 results for Pattern / motif query
Pattern / motif 13 results DB fairmol
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Query interpretation
Pattern registry Vnos: dithiolane Dithiolane
ID 421 DB fairmol
2D structure

MK32

ID 421

Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NCC[NH2+]CCNC(=O)CCCC[C@H]1CCSS1)O2

Formula: C26H42N3O4S2+

MW: 524.77 | LogP: 2.91

TPSA: 104.27

Patterns:

Dithiolane
Detail
ID 584 DB fairmol
2D structure

MK47

ID 584

Oc1ccc(CCn2nnnc2CCCC[C@@H]2CCSS2)cc1O

Formula: C16H22N4O2S2

MW: 366.51 | LogP: 3.19

TPSA: 84.06

Patterns:

Dithiolane
Detail
ID 676 DB fairmol
2D structure

MK32

ID 676

Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)NCC[NH2+]CCNC(=O)CCCC[C@@H]1CCSS1)O2

Formula: C26H42N3O4S2+

MW: 524.77 | LogP: 2.91

TPSA: 104.27

Patterns:

Dithiolane
Detail
ID 801 DB fairmol
2D structure

MK47

ID 801

Oc1ccc(CCn2nnnc2CCCC[C@H]2CCSS2)cc1O

Formula: C16H22N4O2S2

MW: 366.51 | LogP: 3.19

TPSA: 84.06

Patterns:

Dithiolane
Detail
ID 970 DB fairmol
2D structure

MK46

ID 970

COc1ccc(CCn2nnnc2CCCC[C@H]2CCSS2)cc1OC

Formula: C18H26N4O2S2

MW: 394.57 | LogP: 3.80

TPSA: 62.06

Patterns:

Dithiolane
Detail
ID 2442 DB fairmol
2D structure

MK1

ID 2442

Cc1c(C)c2c(c(CNC(=O)CCCC[C@H]3CCSS3)c1O)CCC(C)(C)O2

Formula: C22H33NO3S2

MW: 423.64 | LogP: 5.44

TPSA: 58.56

Patterns:

Dithiolane
Detail
ID 2459 DB fairmol
2D structure

MK58

ID 2459

Cc1c(C)c2c(c(C)c1O)CC[C@](C)(CNC(=O)CCCC[C@@H]1CCSS1)O2

Formula: C22H33NO3S2

MW: 423.64 | LogP: 5.23

TPSA: 58.56

Patterns:

Dithiolane
Detail
ID 2973 DB fairmol
2D structure

MK58

ID 2973

Cc1c(C)c2c(c(C)c1O)CC[C@](C)(CNC(=O)CCCC[C@H]1CCSS1)O2

Formula: C22H33NO3S2

MW: 423.64 | LogP: 5.23

TPSA: 58.56

Patterns:

Dithiolane
Detail
ID 3044 DB fairmol
2D structure

MK65

ID 3044

Oc1ccc(-c2noc(CCCC[C@@H]3CCSS3)n2)cc1O

Formula: C15H18N2O3S2

MW: 338.45 | LogP: 4.01

TPSA: 79.38

Patterns:

Dithiolane
Detail
ID 3390 DB fairmol
2D structure

MK49

ID 3390

COc1ccc(-c2nnc(CCCC[C@H]3CCSS3)o2)cc1

Formula: C16H20N2O2S2

MW: 336.48 | LogP: 4.61

TPSA: 48.15

Patterns:

Dithiolane
Detail
ID 3397 DB fairmol
2D structure

MK48

ID 3397

COc1ccc(-c2noc(CCCC[C@H]3CCSS3)n2)cc1OC

Formula: C17H22N2O3S2

MW: 366.51 | LogP: 4.62

TPSA: 57.38

Patterns:

Dithiolane
Detail
ID 3424 DB fairmol
2D structure

MK62

ID 3424

COc1ccc(-c2nnc(CCCC[C@H]3CCSS3)o2)cc1OC

Formula: C17H22N2O3S2

MW: 366.51 | LogP: 4.62

TPSA: 57.38

Patterns:

Dithiolane
Detail
ID 3475 DB fairmol
2D structure

MK65

ID 3475

Oc1ccc(-c2noc(CCCC[C@H]3CCSS3)n2)cc1O

Formula: C15H18N2O3S2

MW: 338.45 | LogP: 4.01

TPSA: 79.38

Patterns:

Dithiolane
Detail