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Regex Pattern / motif 17 results

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17 results for Pattern / motif query

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Pattern / motif 17 results DB demo

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Pattern registry Vnos: ketone Ketone

Select ID 603 DB demo

OHD_TbNat_2

ID 603

CC(C)=CCc1c(O)cc(O)c(C(=O)/C=C/c2ccc(O)cc2)c1O

Formula: C20H20O5

MW: 340.38 | LogP: 3.91

TPSA: 97.99

Patterns:

Ketone

Detail

Select ID 678 DB demo

Z20255081

ID 678

CCn1c(CSc2nc3ccccc3s2)nnc1SCC(=O)c1ccc(O)c(O)c1

Formula: C20H18N4O3S3

MW: 458.59 | LogP: 4.59

TPSA: 101.13

Patterns:

Ketone

Detail

Select ID 1219 DB demo

Z16211652

ID 1219

CCn1c(SCC(=O)c2ccc(O)c(O)c2)nnc1-c1ccc(Cl)cc1

Formula: C18H16ClN3O3S

MW: 389.86 | LogP: 4.00

TPSA: 88.24

Patterns:

Ketone

Detail

Select ID 1266 DB demo

Z44426342

ID 1266

Cc1ccc(NC(=O)c2cc(C(=O)c3cc(Cl)ccc3O)cn(-c3ccc(C)cc3C)c2=O)c(C)c1

Formula: C29H25ClN2O4

MW: 500.98 | LogP: 5.91

TPSA: 88.40

Patterns:

Ketone

Detail

Select ID 1632 DB demo

Z18651473

ID 1632

Cc1cc(C(=O)CSc2nnc(-c3ccco3)o2)c(C)n1-c1ccc2c(c1)OCCO2

Formula: C22H19N3O5S

MW: 437.48 | LogP: 4.48

TPSA: 92.52

Patterns:

Ketone

Detail

Select ID 1752 DB demo

Z44425700

ID 1752

COc1ccc(O)c(C(=O)c2cnn(-c3ccccn3)c2)c1

Formula: C16H13N3O3

MW: 295.30 | LogP: 2.21

TPSA: 77.24

Patterns:

Ketone

Detail

Select ID 1837 DB demo

Z30206012

ID 1837

CCOc1ccc2nc(NC(=O)CCC(=O)c3cccs3)sc2c1

Formula: C17H16N2O3S2

MW: 360.46 | LogP: 4.36

TPSA: 68.29

Patterns:

Ketone

Detail

Select ID 2118 DB demo

ulfkktlib_2881

ID 2118

NN/C(O)=C(\C(=O)c1ccccc1)c1ccc2ccccc2n1

Formula: C18H15N3O2

MW: 305.34 | LogP: 2.81

TPSA: 88.24

Patterns:

Ketone

Detail

Select ID 2877 DB demo

GemmaOHDUnisi_36

ID 2877

Cn1c(-c2ccc(O)cc2)cc2cc(/C=C/C(=O)c3ccc(O)cc3O)ccc21

Formula: C24H19NO4

MW: 385.42 | LogP: 4.86

TPSA: 82.69

Patterns:

Ketone

Detail

Select ID 3332 DB demo

OHD_TbNat_16

ID 3332

C[C@@H]1O[C@@H](Oc2cccc3c2C(=O)c2ccc(C[C@@](C)(O)CC(=O)O)c(O)c2C3=O)[C@H](O)[C@H](O)[C@H]1O

Formula: C25H26O11

MW: 502.47 | LogP: 0.14

TPSA: 191.05

Patterns:

Ketone

Detail

Select ID 3836 DB demo

OHD_Babesia_21

ID 3836

COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)[C@H](O[C@H]1C[C@H](N)[C@H](O)[C@@H](C)O1)C[C@@](O)(C(=O)CO)C3

Formula: C27H29NO11

MW: 543.53 | LogP: 0.00

TPSA: 206.07

Patterns:

Ketone

Detail

Select ID 3926 DB demo

ulfkktlib_2320

ID 3926

O=C(N[C@@H]1CN(/C=C2\C(=O)N[C@@H](Cc3ccccc3)C2=O)NC1=O)OCc1ccccc1

Formula: C23H22N4O5

MW: 434.45 | LogP: 0.82

TPSA: 116.84

Patterns:

Ketone

Detail

Select ID 3958 DB demo

ulfkktlib_1132

ID 3958

CC1(C)OC(=O)C(C(=O)CNC(=O)CNC(=O)OCc2ccccc2)C(=O)O1

Formula: C18H20N2O8

MW: 392.36 | LogP: 0.05

TPSA: 137.10

Patterns:

Ketone

Detail

Select ID 4898 DB demo

ulfkktlib_3698

ID 4898

CN(C)/C=C/C(=O)c1ccc(C(=O)/C=C/Nc2ccc(/N=C\C=C(/O)c3ccc(C(=O)/C=C/N(C)C)cc3)cc2)cc1

Formula: C34H34N4O4

MW: 562.67 | LogP: 6.31

TPSA: 102.31

Patterns:

Ketone

Detail

Select ID 5135 DB demo

ulfkktlib_987

ID 5135

CC(=O)c1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)oc2-c2cc3ccccc3cn2)cc1

Formula: C28H18F3NO2

MW: 457.45 | LogP: 8.05

TPSA: 43.10

Patterns:

Ketone

Detail

Select ID 5377 DB demo

TC64

ID 5377

C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)C#CCc1ccccc1

Formula: C29H36O2

MW: 416.61 | LogP: 5.74

TPSA: 37.30

Patterns:

Ketone

Detail

Select ID 5383 DB demo

TC152

ID 5383

COc1ccc(C#CC(=O)[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)cc1

Formula: C29H36O3

MW: 432.60 | LogP: 5.56

TPSA: 46.53

Patterns:

Ketone

Detail