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Regex Pattern / motif 142 results

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142 results for Pattern / motif query

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Pattern / motif 142 results DB fairmol

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Pattern registry Vnos: imide Imide

Select ID 2 DB fairmol

Z20253414

ID 2

Cn1c(SCC(=O)NC(=O)NCc2ccco2)nnc1-c1ccccc1

Formula: C17H17N5O3S

MW: 371.42 | LogP: 2.19

TPSA: 102.05

Patterns:

Imide

Detail

Select ID 3 DB fairmol

Z19597181

ID 3

Cc1ccc(-c2nnc(SCC(=O)NC(=O)Nc3ccc(C)cc3C)n2N)cc1

Formula: C20H22N6O2S

MW: 410.50 | LogP: 3.02

TPSA: 114.93

Patterns:

Imide

Detail

Select ID 140 DB fairmol

Z20229397

ID 140

Cc1sc2ncnc(SCC(=O)NC(=O)c3cccn3C)c2c1C

Formula: C16H16N4O2S2

MW: 360.46 | LogP: 2.70

TPSA: 76.88

Patterns:

Imide

Detail

Select ID 186 DB fairmol

Z25575620

ID 186

Nn1c(SCC(=O)NC(=O)NCc2ccco2)nnc1-c1ccc(OC(F)F)cc1

Formula: C17H16F2N6O4S

MW: 438.42 | LogP: 1.97

TPSA: 137.30

Patterns:

Imide

Detail

Select ID 389 DB fairmol

ulfkktlib_630

ID 389

CC(=O)N[C@]12C=C[C@](C)([C@@H]3C(=O)N(Nc4ccccc4)C(=O)[C@@H]31)[C@H]1C(=O)N(Nc3ccccc3)C(=O)[C@H]12

Formula: C27H25N5O5

MW: 499.53 | LogP: 1.71

TPSA: 127.92

Patterns:

Imide

Detail

Select ID 397 DB fairmol

OHD_ACDS_49

ID 397

O=C1c2cccc3cccc(c23)C(=O)N1CCC[NH2+]CCCC[NH2+]CCCN1C(=O)c2cccc3cccc(c23)C1=O

Formula: C34H36N4O4+2

MW: 564.69 | LogP: 2.57

TPSA: 107.98

Patterns:

Imide

Detail

Select ID 482 DB fairmol

Z13863770

ID 482

C[C@H]1CC[C@@]2(CC1)NC(=O)N(CC(=O)Nc1ccc3c(c1)OCCCO3)C2=O

Formula: C20H25N3O5

MW: 387.44 | LogP: 2.29

TPSA: 96.97

Patterns:

Imide

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:

Imide

Detail

Select ID 572 DB fairmol

OHD_ACDS_52

ID 572

O=C1c2cccc3cccc(c23)C(=O)N1CCC[NH2+]CCCCCC[NH2+]CCCN1C(=O)c2cccc3cccc(c23)C1=O

Formula: C36H40N4O4+2

MW: 592.74 | LogP: 3.35

TPSA: 107.98

Patterns:

Imide

Detail

Select ID 690 DB fairmol

OHD_TC1_137

ID 690

O=C(CN1C(=O)N(Cc2ccccc2)[C@@]2(CCCCc3ccccc32)C1=O)NO

Formula: C22H23N3O4

MW: 393.44 | LogP: 2.58

TPSA: 89.95

Patterns:

Imide

Detail

Select ID 715 DB fairmol

Z27116094

ID 715

CSc1cccc(N2C[C@@H](C(=O)NCCN3C(=O)S/C(=C\c4cccnc4)C3=O)CC2=O)c1

Formula: C23H22N4O4S2

MW: 482.59 | LogP: 3.01

TPSA: 99.68

Patterns:

Imide

Detail

Select ID 726 DB fairmol

ulfkktlib_1378

ID 726

O=C(NCC(=O)N1CC(O)=C(/C=N/Nc2ccc(Cl)nn2)C1=O)OCc1ccccc1

Formula: C19H17ClN6O5

MW: 444.84 | LogP: 1.63

TPSA: 146.11

Patterns:

Imide

Detail

Select ID 757 DB fairmol

ulfkktlib_249

ID 757

CN(C(=O)NC(=O)c1ccccc1)C(=O)c1c(C#N)c(-c2ccc(Cl)cc2)nn1-c1ccccc1

Formula: C26H18ClN5O3

MW: 483.92 | LogP: 4.69

TPSA: 108.09

Patterns:

Imide

Detail

Select ID 789 DB fairmol

OHD_TC1_51

ID 789

O=C1c2ccccc2C(=O)N1C/C(=N/N[C@@H]1N=C(c2ccc(Cl)c(Cl)c2)CS1)c1ccccc1

Formula: C25H18Cl2N4O2S

MW: 509.42 | LogP: 5.10

TPSA: 74.13

Patterns:

Imide

Detail

Select ID 804 DB fairmol

Z31294274

ID 804

Cc1occc1C(=O)NN/C=C1/C(=O)N(c2ccccc2Cl)C(=O)c2ccccc21

Formula: C22H16ClN3O4

MW: 421.84 | LogP: 3.70

TPSA: 91.65

Patterns:

Imide

Detail

Select ID 808 DB fairmol

OHD_TC1_52

ID 808

COc1ccc(C2=CS[C@@H](N/N=C(/CN3C(=O)c4ccccc4C3=O)c3ccccc3)N2c2ccccc2)cc1

Formula: C32H26N4O3S

MW: 546.65 | LogP: 5.82

TPSA: 74.24

Patterns:

Imide

Detail

Select ID 842 DB fairmol

Z28978240

ID 842

O=C(CN1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C=C[C@@H]2C1)Nc1n[nH]c(SCc2ccc(Cl)cc2)n1

Formula: C20H18ClN5O3S

MW: 443.92 | LogP: 2.50

TPSA: 108.05

Patterns:

Imide

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:

Imide

Detail

Select ID 875 DB fairmol

Z25747797

ID 875

C[C@H]1CCCC[C@]12NC(=O)N(CC(=O)Nc1sc3c(c1C(N)=O)CCC3)C2=O

Formula: C19H24N4O4S

MW: 404.49 | LogP: 1.77

TPSA: 121.60

Patterns:

Imide

Detail

Select ID 929 DB fairmol

Z56785257

ID 929

COc1ccc2c(c1)C(=O)N(CCc1ccc(S(=O)(=O)NC(=O)NC3CCCCC3)cc1)C(=O)C2(C)C

Formula: C27H33N3O6S

MW: 527.64 | LogP: 3.52

TPSA: 121.88

Patterns:

Imide

Detail

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