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Regex Pattern / motif 97 results

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97 results for Pattern / motif query

Cards

Pattern / motif 97 results DB fairmol

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Query interpretation

Pattern registry Vnos: benzodioxane Benzodioxane

Select ID 9 DB fairmol

Z24314037

ID 9

Cn1c(SCC(=O)NCc2ccc3c(c2)OCO3)nnc1[C@H]1COc2ccccc2O1

Formula: C21H20N4O5S

MW: 440.48 | LogP: 2.46

TPSA: 96.73

Patterns:

Benzodioxane

Detail

Select ID 50 DB fairmol

Z24181579

ID 50

C=CCn1c(SCC(=O)NCc2ccc3c(c2)OCO3)nnc1[C@@H]1COc2ccccc2O1

Formula: C23H22N4O5S

MW: 466.52 | LogP: 3.11

TPSA: 96.73

Patterns:

Benzodioxane

Detail

Select ID 55 DB fairmol

Z49728376

ID 55

COc1cc(/C=N\NC(=O)[C@H]2COc3ccccc3O2)ccc1O

Formula: C17H16N2O5

MW: 328.32 | LogP: 1.69

TPSA: 89.38

Patterns:

Benzodioxane

Detail

Select ID 179 DB fairmol

Z57392960

ID 179

O=C(Nc1nnc(SCc2ccccc2Cl)s1)[C@H]1COc2ccccc2O1

Formula: C18H14ClN3O3S2

MW: 419.92 | LogP: 4.26

TPSA: 73.34

Patterns:

Benzodioxane

Detail

Select ID 219 DB fairmol

Z29514151

ID 219

Cc1ccc2c(CC(=O)N3CCN(S(=O)(=O)c4ccc5c(c4)OCCO5)CC3)coc2c1

Formula: C23H24N2O6S

MW: 456.52 | LogP: 2.59

TPSA: 89.29

Patterns:

Benzodioxane

Detail

Select ID 268 DB fairmol

Z28654534

ID 268

O=C(Nc1nnc(SCc2c(Cl)cccc2Cl)s1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1

Formula: C22H18Cl2N4O4S2

MW: 537.45 | LogP: 4.90

TPSA: 93.65

Patterns:

Benzodioxane

Detail

Select ID 309 DB fairmol

Z29582968

ID 309

O=C(N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1

Formula: C28H26N4O4

MW: 482.54 | LogP: 3.79

TPSA: 96.55

Patterns:

Benzodioxane

Detail

Select ID 363 DB fairmol

Z18477514

ID 363

Cc1cc(=O)oc2cc(OCC(=O)N3CCN(C(=O)[C@H]4COc5ccccc5O4)CC3)ccc12

Formula: C25H24N2O7

MW: 464.47 | LogP: 1.99

TPSA: 98.52

Patterns:

Benzodioxane

Detail

Select ID 367 DB fairmol

Z29466466

ID 367

O=C(Nc1nc(-c2ccccn2)cs1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1

Formula: C21H18N4O4S

MW: 422.47 | LogP: 2.97

TPSA: 93.65

Patterns:

Benzodioxane

Detail

Select ID 380 DB fairmol

KB_HAT_191

ID 380

COc1ccc2nccc(NC(=O)C3(OC)CCN(C[C@H](O)c4ccc5c(c4)OCCO5)CC3)c2n1

Formula: C26H30N4O6

MW: 494.55 | LogP: 2.56

TPSA: 115.27

Patterns:

Benzodioxane

Detail

Select ID 392 DB fairmol

Z28419783

ID 392

O=C(Nc1nc(-c2ccco2)c(-c2ccco2)s1)[C@H]1CC(=O)N(c2ccc3c(c2)OCCO3)C1

Formula: C24H19N3O6S

MW: 477.50 | LogP: 4.43

TPSA: 107.04

Patterns:

Benzodioxane

Detail

Select ID 433 DB fairmol

Z31122016

ID 433

c1ccc(-c2cc3c(NC[C@H]4COc5ccccc5O4)ncnc3s2)cc1

Formula: C21H17N3O2S

MW: 375.45 | LogP: 4.61

TPSA: 56.27

Patterns:

Benzodioxane

Detail

Select ID 528 DB fairmol

Z31287542

ID 528

O=C1/C(=C/N/N=C(\O)[C@H]2COc3ccccc3O2)c2ccccc2C(=O)N1c1ccccc1Cl

Formula: C25H18ClN3O5

MW: 475.89 | LogP: 4.17

TPSA: 100.46

Patterns:

Benzodioxane

Detail

Select ID 819 DB fairmol

Z25066100

ID 819

CC(=O)Nc1ccc(SCC(=O)c2cc(C)n(C[C@@H]3COc4ccccc4O3)c2C)cc1

Formula: C25H26N2O4S

MW: 450.56 | LogP: 4.88

TPSA: 69.56

Patterns:

Benzodioxane

Detail

Select ID 843 DB fairmol

OHD_TB2021_74

ID 843

Cc1ccc(C[C@H](NC(=O)c2ccc3c(c2)OCCO3)C(=O)N[C@H](/C=C(/F)S(=O)(=O)c2ccccc2)CCc2ccccc2)cc1

Formula: C36H35FN2O6S

MW: 642.75 | LogP: 5.51

TPSA: 110.80

Patterns:

Benzodioxane

Detail

Select ID 847 DB fairmol

Z14242918

ID 847

C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)NC(=O)Nc1ccc3c(c1)OCCO3)C2=O

Formula: C20H24N4O6

MW: 416.43 | LogP: 1.61

TPSA: 126.07

Patterns:

Benzodioxane

Detail

Select ID 858 DB fairmol

Z31287535

ID 858

CCOc1ccc(-[n+]2c(O)c(/C=[NH+]\NC(=O)[C@@H]3COc4ccccc4O3)c3ccccc3c2O)cc1

Formula: C27H25N3O6+2

MW: 487.51 | LogP: 1.30

TPSA: 115.10

Patterns:

Benzodioxane

Detail

Select ID 984 DB fairmol

KB_HAT_191

ID 984

COc1ccc2nccc(NC(=O)[C@]3(OC)CC[N@H+](C[C@@H](O)c4ccc5c(c4)OCCO5)CC3)c2n1

Formula: C26H31N4O6+

MW: 495.56 | LogP: 1.15

TPSA: 116.47

Patterns:

Benzodioxane

Detail

Select ID 1114 DB fairmol

Z29466466

ID 1114

O=C1C[C@@H](/C(O)=N/c2nc(-c3ccccn3)cs2)CN1c1ccc2c(c1)OCCO2

Formula: C21H18N4O4S

MW: 422.47 | LogP: 3.62

TPSA: 97.14

Patterns:

Benzodioxane

Detail

Select ID 1273 DB fairmol

Z24181579

ID 1273

C=CCn1c(SCC(=O)NCc2ccc3c(c2)OCO3)nnc1[C@H]1COc2ccccc2O1

Formula: C23H22N4O5S

MW: 466.52 | LogP: 3.11

TPSA: 96.73

Patterns:

Benzodioxane

Detail

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