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Jasen preklop med dedupliciranimi compounds in posameznimi samples.
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Compounds 5571 Samples 0
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9 results for Pattern / motif query
Pattern / motif 9 results DB fairmol
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Query interpretation
Pattern registry Vnos: morpholine Morpholine
ID 227 DB fairmol
2D structure

KB_Leish_41

ID 227

N#Cc1cc(-c2ccnc(Nc3cccc(C[NH+]4CCOCC4)c3)n2)ccc1NCC[NH3+]

Formula: C24H29N7O+2

MW: 431.54 | LogP: 0.83

TPSA: 114.94

Patterns:

Morpholine
Detail
ID 611 DB fairmol
2D structure

OHD_MAC_24

ID 611

Clc1ccc(/C=N/Nc2ncnc3c(Nc4cccc(OCC[NH+]5CCOCC5)c4)ncnc23)cc1

Formula: C25H26ClN8O2+

MW: 505.99 | LogP: 2.56

TPSA: 110.88

Patterns:

Morpholine
Detail
ID 1250 DB fairmol
2D structure

OHD_MAC_23

ID 1250

Clc1cccc(/C=N/Nc2ncnc3c(Nc4cccc(OCC[NH+]5CCOCC5)c4)ncnc23)c1

Formula: C25H26ClN8O2+

MW: 505.99 | LogP: 2.56

TPSA: 110.88

Patterns:

Morpholine
Detail
ID 3271 DB fairmol
2D structure

Z19836822

ID 3271

O=C(CSc1nc2ccccc2c(=O)n1CCC[NH+]1CCOCC1)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1

Formula: C29H38N5O5S2+

MW: 600.79 | LogP: 2.00

TPSA: 115.04

Patterns:

Morpholine
Detail
ID 3670 DB fairmol
2D structure

Z167204554

ID 3670

COc1cc(OC)cc(C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)c1

Formula: C21H27N2O4+

MW: 371.46 | LogP: 1.05

TPSA: 61.23

Patterns:

Morpholine
Detail
ID 3960 DB fairmol
2D structure

OHD_MAC_25

ID 3960

C(=N\Nc1ncnc2c(Nc3cccc(OCC[NH+]4CCOCC4)c3)ncnc12)/c1ccccc1

Formula: C25H27N8O2+

MW: 471.55 | LogP: 1.90

TPSA: 110.88

Patterns:

Morpholine
Detail
ID 4374 DB fairmol
2D structure

OSA_Lib_166

ID 4374

O=C1NC[C@]2([NH+]3CCOCC3)C[C@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)C2

Formula: C24H29N2O2+

MW: 377.51 | LogP: 1.75

TPSA: 42.77

Patterns:

Morpholine
Detail
ID 4429 DB fairmol
2D structure

OSA_Lib_176

ID 4429

O=C1C[C@]2([NH+]3CCOCC3)C[C@H](c3ccccc3)[C@H](N1)[C@@H](c1ccccc1)C2

Formula: C24H29N2O2+

MW: 377.51 | LogP: 1.89

TPSA: 42.77

Patterns:

Morpholine
Detail
ID 4450 DB fairmol
2D structure

KB_HAT_54

ID 4450

N#Cc1cnc(Nc2cccc(CC[NH+]3CCOCC3)c2)nc1Nc1ccccc1C(N)=O

Formula: C24H26N7O2+

MW: 444.52 | LogP: 1.39

TPSA: 130.39

Patterns:

Morpholine
Detail