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Jasen preklop med dedupliciranimi compounds in posameznimi samples.
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778 results for Pattern / motif query
Pattern / motif 778 results DB Docking_panel_21
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Query interpretation
Pattern registry Vnos: phenol Phenol
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:

Phenol
Detail
ID 3 DB Docking_panel_21
2D structure

MK151

ID 3

Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(c1cn(CCc3ccc(O)c(O)c3)nn1)O2

Formula: C23H27N3O4

MW: 409.49 | LogP: 3.80

TPSA: 100.63

Patterns:

Phenol
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:

Phenol
Detail
ID 11 DB Docking_panel_21
2D structure

OHD_TbNat_17

ID 11

COc1cc(/C=C/C(=O)/C=C(O)\C=C\c2ccc(O)c(OC)c2)ccc1O

Formula: C21H20O6

MW: 368.39 | LogP: 3.85

TPSA: 96.22

Patterns:

Phenol
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:

Phenol
Detail
ID 13 DB Docking_panel_21
2D structure

Z56902329

ID 13

CC/N=c1/scc(-c2ccc(Br)cc2)n1/N=C\c1ccc(O)c(O)c1O

Formula: C18H16BrN3O3S

MW: 434.32 | LogP: 3.90

TPSA: 90.34

Patterns:

Phenol
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:

Phenol
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:

Phenol
Detail
ID 21 DB Docking_panel_21
2D structure

Z49724748

ID 21

Cc1cc(SCC(=O)N/N=C/c2ccc(O)c(O)c2O)c(C)cc1Br

Formula: C17H17BrN2O4S

MW: 425.30 | LogP: 3.43

TPSA: 102.15

Patterns:

Phenol
Detail
ID 23 DB Docking_panel_21
2D structure

MK160

ID 23

Cc1c(C)c2c(c(C)c1O)CC[C@](C)(c1nc(CCc3ccc(O)c(O)c3)no1)O2

Formula: C23H26N2O5

MW: 410.47 | LogP: 4.14

TPSA: 108.84

Patterns:

Phenol
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:

Phenol
Detail
ID 29 DB Docking_panel_21
2D structure

MK214

ID 29

Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(c1cn(CCc3cc(O)cc(O)c3)nn1)O2

Formula: C23H27N3O4

MW: 409.49 | LogP: 3.80

TPSA: 100.63

Patterns:

Phenol
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:

Phenol
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:

Phenol
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:

Phenol
Detail
ID 45 DB Docking_panel_21
2D structure

Z56920485

ID 45

Cc1cs/c(=N\C2CCCCC2)n1/N=C/c1ccc(O)c(O)c1O

Formula: C17H21N3O3S

MW: 347.44 | LogP: 3.09

TPSA: 90.34

Patterns:

Phenol
Detail
ID 53 DB Docking_panel_21
2D structure

Z49890534

ID 53

Cc1sc2ncnc(N/N=C/c3ccccc3O)c2c1C

Formula: C15H14N4OS

MW: 298.37 | LogP: 3.46

TPSA: 70.40

Patterns:

Phenol
Detail
ID 58 DB Docking_panel_21
2D structure

MK221

ID 58

Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CCc1cn(CCCc3ccc(O)c(O)c3)nn1)O2

Formula: C26H33N3O4

MW: 451.57 | LogP: 4.67

TPSA: 100.63

Patterns:

Phenol
Detail
ID 59 DB Docking_panel_21
2D structure

MK217

ID 59

Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(c1nnc(CCc3ccc(O)c(O)c3)s1)O2

Formula: C23H26N2O4S

MW: 426.54 | LogP: 4.61

TPSA: 95.70

Patterns:

Phenol
Detail
ID 60 DB Docking_panel_21
2D structure

Z30879796

ID 60

O=C(c1cc(-c2ccc(Br)cc2)nc2ccccc12)N1CCN(c2ccccc2O)CC1

Formula: C26H22BrN3O2

MW: 488.39 | LogP: 5.33

TPSA: 56.67

Patterns:

Phenol
Detail
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