FAIRMol

Library browser

Jasen preklop med dedupliciranimi compounds in posameznimi samples.
Open analysis
Compounds 3586 Samples 0
Search Workspace

Chemical search

Build a query, refine the result set, and sketch a structure without leaving the page.
Clear
Threshold 0.50

Properties

Reset all

Results

1115 results for Pattern / motif query
Pattern / motif 1115 results DB Docking_panel_21
Selected 0
Global compound selection stays available across the browser. Save selected compounds into analysis sets A / B / C, then use union, intersection or negation in the Analysis selection workbench.
Query interpretation
Pattern registry Vnos: ionizable_base Ionizable base
ID 2 DB Docking_panel_21
2D structure

Z56911531

ID 2

C/[NH+]=c1/scc(-c2cccs2)n1/N=C\c1ccc(O)c(O)c1O

Formula: C15H14N3O3S2+

MW: 348.43 | LogP: 0.89

TPSA: 91.95

Patterns:

Ionizable base
Detail
ID 7 DB Docking_panel_21
2D structure

KB_Leish_101

ID 7

Cc1ccc(Nc2nc([C@H]3CCC[N@@H+]3Cc3cc[nH]n3)cs2)nc1

Formula: C17H21N6S+

MW: 341.46 | LogP: 2.23

TPSA: 70.93

Patterns:

Ionizable base
Detail
ID 8 DB Docking_panel_21
2D structure

Z56900576

ID 8

C=CC/[NH+]=c1/scc(-c2ccco2)n1/N=C\c1ccc(O)c(O)c1O

Formula: C17H16N3O4S+

MW: 358.40 | LogP: 0.98

TPSA: 105.09

Patterns:

Ionizable base
Detail
ID 10 DB Docking_panel_21
2D structure

OHD_ACDS_37

ID 10

Brc1ccc2c(C(CNCc3ccco3)c3c[nH]c4cc(Br)ccc34)c[nH]c2c1

Formula: C23H19Br2N3O

MW: 513.23 | LogP: 6.69

TPSA: 56.75

Patterns:

Ionizable base
Detail
ID 12 DB Docking_panel_21
2D structure

Z56932065

ID 12

CC(C)/[NH+]=c1/scc(-c2cccs2)n1/N=C\c1ccc(O)c(O)c1O

Formula: C17H18N3O3S2+

MW: 376.48 | LogP: 1.67

TPSA: 91.95

Patterns:

Ionizable base
Detail
ID 14 DB Docking_panel_21
2D structure

NMT-TY0945

ID 14

CCCSc1nc(=O)c(NS(=O)(=O)c2cccc(N)c2)c(N)[nH]1

Formula: C13H17N5O3S2

MW: 355.45 | LogP: 1.24

TPSA: 143.96

Patterns:

Ionizable base
Detail
ID 16 DB Docking_panel_21
2D structure

NMT-TY0941

ID 16

CC(C)CCSc1nc(N)c(NS(=O)(=O)c2cccc(N)c2)c(O)n1

Formula: C15H21N5O3S2

MW: 383.50 | LogP: 2.29

TPSA: 144.22

Patterns:

Ionizable base
Detail
ID 18 DB Docking_panel_21
2D structure

ulfkktlib_459

ID 18

CC(C)(C)OC(=O)N1C[C@@H](C(=O)NN)C(=O)C1(Cc1ccccc1)Cc1ccccc1

Formula: C24H29N3O4

MW: 423.51 | LogP: 2.64

TPSA: 101.73

Patterns:

Ionizable base
Detail
ID 19 DB Docking_panel_21
2D structure

Z56935963

ID 19

COCC/[NH+]=c1\scc(-c2cccs2)n1/N=C\c1ccc(O)c(O)c1O

Formula: C17H18N3O4S2+

MW: 392.48 | LogP: 0.90

TPSA: 101.18

Patterns:

Ionizable base
Detail
ID 22 DB Docking_panel_21
2D structure

OHD_TB2022_45

ID 22

COc1cccc(CNC(=O)c2ccc3nc(N)nc(N)c3c2)c1

Formula: C17H17N5O2

MW: 323.36 | LogP: 1.73

TPSA: 116.15

Patterns:

Ionizable base
Detail
ID 24 DB Docking_panel_21
2D structure

Z1521553711

ID 24

Oc1ccc([C@H]2CNCCc3c2cc(O)c(O)c3Cl)cc1

Formula: C16H16ClNO3

MW: 305.76 | LogP: 2.73

TPSA: 72.72

Patterns:

Ionizable base
Detail
ID 27 DB Docking_panel_21
2D structure

Z44851564

ID 27

Cc1[nH]c2ccccc2c1/C=N/Nc1nncc2ccccc12

Formula: C18H15N5

MW: 301.35 | LogP: 3.87

TPSA: 65.96

Patterns:

Ionizable base
Detail
ID 28 DB Docking_panel_21
2D structure

KB_chagas_164

ID 28

CN(Cc1cc2ccccc2s1)c1ncc2c(N)nc(N)nc2n1

Formula: C16H15N7S

MW: 337.41 | LogP: 2.44

TPSA: 106.84

Patterns:

Ionizable base
Detail
ID 33 DB Docking_panel_21
2D structure

Z25378902

ID 33

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

Formula: C14H15N3O2S2

MW: 321.43 | LogP: 3.25

TPSA: 64.11

Patterns:

Ionizable base
Detail
ID 35 DB Docking_panel_21
2D structure

Z49536372

ID 35

Oc1ccc(/C=N/Nc2ccc3ccccc3c2)c(O)c1

Formula: C17H14N2O2

MW: 278.31 | LogP: 3.70

TPSA: 64.85

Patterns:

Ionizable base
Detail
ID 36 DB Docking_panel_21
2D structure

Z56905026

ID 36

COCC/[NH+]=c1/scc(-c2ccco2)n1/N=C\c1ccc(O)c(O)c1O

Formula: C17H18N3O5S+

MW: 376.41 | LogP: 0.44

TPSA: 114.32

Patterns:

Ionizable base
Detail
ID 39 DB Docking_panel_21
2D structure

Z56175908

ID 39

Cc1cc(N[C@@H](c2ccc(Cl)cc2)c2ccc3cccnc3c2O)no1

Formula: C20H16ClN3O2

MW: 365.82 | LogP: 5.09

TPSA: 71.18

Patterns:

Ionizable base
Detail
ID 40 DB Docking_panel_21
2D structure

OHD_Babesia_62

ID 40

COc1ccc(OC)c(NCc2ccc3nc(N)nc(N)c3c2Cl)c1

Formula: C17H18ClN5O2

MW: 359.82 | LogP: 3.08

TPSA: 108.31

Patterns:

Ionizable base
Detail
ID 41 DB Docking_panel_21
2D structure

NMT-TY0940

ID 41

CCCCSc1nc(=O)c(NS(=O)(=O)c2cccc(N)c2)c(N)[nH]1

Formula: C14H19N5O3S2

MW: 369.47 | LogP: 1.63

TPSA: 143.96

Patterns:

Ionizable base
Detail
ID 49 DB Docking_panel_21
2D structure

OHD_ACDS_32

ID 49

CC(C)CNCC(c1c[nH]c2cc(Br)ccc12)c1c[nH]c2cc(Br)ccc12

Formula: C22H23Br2N3

MW: 489.26 | LogP: 6.55

TPSA: 43.61

Patterns:

Ionizable base
Detail
Page 1 / 56