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Jasen preklop med dedupliciranimi compounds in posameznimi samples.
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Compounds 3586 Samples 0
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11 results for Pattern / motif query
Pattern / motif 11 results DB Docking_panel_21
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Query interpretation
Pattern registry Vnos: benzoxazole Benzoxazole
ID 786 DB Docking_panel_21
2D structure

Z19651249

ID 786

Cc1cc(C(=O)CSc2nc3ccccc3o2)c(C)n1C[C@@H]1CCCO1

Formula: C20H22N2O3S

MW: 370.47 | LogP: 4.40

TPSA: 57.26

Patterns:

Benzoxazole
Detail
ID 802 DB Docking_panel_21
2D structure

Z19651549

ID 802

O=C(CSc1nc2ccccc2o1)c1ccc(O)c(O)c1

Formula: C15H11NO4S

MW: 301.32 | LogP: 3.21

TPSA: 83.56

Patterns:

Benzoxazole
Detail
ID 804 DB Docking_panel_21
2D structure

Z56792679

ID 804

COc1ccc(/C=N\Nc2nc3ccccc3o2)cc1O

Formula: C15H13N3O3

MW: 283.29 | LogP: 2.99

TPSA: 79.88

Patterns:

Benzoxazole
Detail
ID 815 DB Docking_panel_21
2D structure

Z56838367

ID 815

Cc1csc2nc(CSc3nc4ccccc4o3)c(Br)n12

Formula: C14H10BrN3OS2

MW: 380.29 | LogP: 4.90

TPSA: 43.33

Patterns:

Benzoxazole
Detail
ID 975 DB Docking_panel_21
2D structure

Z19160931

ID 975

COc1ccc(NS(=O)(=O)c2ccc3oc(S[C@H](C)C(N)=O)nc3c2)cc1

Formula: C17H17N3O5S2

MW: 407.47 | LogP: 2.60

TPSA: 124.52

Patterns:

Benzoxazole
Detail
ID 1010 DB Docking_panel_21
2D structure

Z166959692

ID 1010

O=C(Cn1c(=O)oc2cc([N+](=O)O)ccc21)Nc1nc2ccccc2s1

Formula: C16H11N4O5S+

MW: 371.35 | LogP: 2.64

TPSA: 117.44

Patterns:

Benzoxazole
Detail
ID 1471 DB Docking_panel_21
2D structure

Z56836235

ID 1471

COc1cc(/C=N/Nc2nc3ccccc3o2)cc(OC)c1O

Formula: C16H15N3O4

MW: 313.31 | LogP: 3.00

TPSA: 89.11

Patterns:

Benzoxazole
Detail
ID 1862 DB Docking_panel_21
2D structure

Z25215898

ID 1862

CN(C)S(=O)(=O)c1ccc2oc(SCC(=O)Nc3ccccc3F)nc2c1

Formula: C17H16FN3O4S2

MW: 409.46 | LogP: 2.95

TPSA: 92.51

Patterns:

Benzoxazole
Detail
ID 1882 DB Docking_panel_21
2D structure

Z26973046

ID 1882

O=C(c1nn(Cc2ccccc2)c(=O)c2ccccc12)N1CCC(c2nc3ccccc3o2)CC1

Formula: C28H24N4O3

MW: 464.53 | LogP: 4.61

TPSA: 81.23

Patterns:

Benzoxazole
Detail
ID 2016 DB Docking_panel_21
2D structure

Z56792679

ID 2016

COc1ccc(/C=N/Nc2nc3ccccc3o2)cc1O

Formula: C15H13N3O3

MW: 283.29 | LogP: 2.99

TPSA: 79.88

Patterns:

Benzoxazole
Detail
ID 3249 DB Docking_panel_21
2D structure

Z226979504

ID 3249

Cc1nc2c3ccccc3nc(SCc3nc4ccccc4o3)n2n1

Formula: C18H13N5OS

MW: 347.40 | LogP: 4.02

TPSA: 69.11

Patterns:

Benzoxazole
Detail