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Regex Pattern / motif 69 results

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69 results for Pattern / motif query

Cards

Pattern / motif 69 results DB fairmol

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Query interpretation

Pattern registry Vnos: vinyl Vinyl

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:

Vinyl

Detail

Select ID 123 DB fairmol

OHD_ACDS_73

ID 123

C=CCc1cc(Cn2cc(-c3nc4ccccc4c(=O)[nH]3)nn2)c(O)c(OC)c1

Formula: C21H19N5O3

MW: 389.42 | LogP: 2.67

TPSA: 105.92

Patterns:

Vinyl

Detail

Select ID 163 DB fairmol

OHD_TbNat_97

ID 163

C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@@H](CC[C@H]4[C@@]5(C)C[C@@H](O)[C@H](OC(=O)/C=C/c6ccc(O)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12

Formula: C39H54O6

MW: 618.85 | LogP: 8.03

TPSA: 104.06

Patterns:

Vinyl

Detail

Select ID 384 DB fairmol

OHD_Leishmania_8

ID 384

C=C[C@@H](c1cc(CC=C(C)C)ccc1O)c1cc(CC=C(C)C)c(OC)cc1O

Formula: C26H32O3

MW: 392.54 | LogP: 6.44

TPSA: 49.69

Patterns:

Vinyl

Detail

Select ID 414 DB fairmol

NMT-TY0944

ID 414

C=CCSc1nc(=O)c(NS(=O)(=O)c2cccc([N+](=O)O)c2)c(N)[nH]1

Formula: C13H14N5O5S2+

MW: 384.42 | LogP: 1.23

TPSA: 158.25

Patterns:

Vinyl

Detail

Select ID 428 DB fairmol

OHD_Leishmania_393

ID 428

C=C(C)[C@@H]1CC[C@]2(/C=N/O)CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CC/C(=N\O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12

Formula: C30H48N2O2

MW: 468.73 | LogP: 7.93

TPSA: 65.18

Patterns:

Vinyl

Detail

Select ID 487 DB fairmol

NMT-TY0974

ID 487

C=CCSc1nc(=O)c(NS(=O)(=O)c2ccccc2)c(N)[nH]1

Formula: C13H14N4O3S2

MW: 338.41 | LogP: 1.43

TPSA: 117.94

Patterns:

Vinyl

Detail

Select ID 504 DB fairmol

Z56900576

ID 504

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:

Vinyl

Detail

Select ID 550 DB fairmol

NMT-TY0930

ID 550

C=CCSc1nc(=O)c(NS(=O)(=O)c2ccccc2N)c(N)[nH]1

Formula: C13H15N5O3S2

MW: 353.43 | LogP: 1.01

TPSA: 143.96

Patterns:

Vinyl

Detail

Select ID 582 DB fairmol

NMT-TY1013

ID 582

C=CCSc1nc(=O)c(NS(=O)(=O)c2ccccc2[N+](=O)O)c(N)[nH]1

Formula: C13H14N5O5S2+

MW: 384.42 | LogP: 1.23

TPSA: 158.25

Patterns:

Vinyl

Detail

Select ID 617 DB fairmol

NMT-TY0607

ID 617

C=CCSc1nc(=O)c(NS(=O)(=O)c2ccc(N)cc2)c(N)[nH]1

Formula: C13H15N5O3S2

MW: 353.43 | LogP: 1.01

TPSA: 143.96

Patterns:

Vinyl

Detail

Select ID 688 DB fairmol

Z56798284

ID 688

C=CCc1cccc(/C=N\NC(=O)c2cc(-c3ccc4ccccc4c3)n[nH]2)c1O

Formula: C24H20N4O2

MW: 396.45 | LogP: 4.43

TPSA: 90.37

Patterns:

Vinyl

Detail

Select ID 696 DB fairmol

Z1213669189

ID 696

C=CCN1C(=O)c2[nH]nc(-c3c(C)cc(C)cc3O)c2[C@@H]1c1cccc(OCC)c1

Formula: C24H25N3O3

MW: 403.48 | LogP: 4.53

TPSA: 78.45

Patterns:

Vinyl

Detail

Select ID 748 DB fairmol

TC134

ID 748

C=C[C@@]1(C)CC[C@@H]2[C@@]3(C)CC[C@H](OC(=S)n4cc[nH+]c4)C(C)(C)[C@@H]3CC[C@@]2(C)O1

Formula: C24H37N2O2S+

MW: 417.64 | LogP: 5.19

TPSA: 37.53

Patterns:

Vinyl

Detail

Select ID 899 DB fairmol

Z20215696

ID 899

C=CCn1c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nc2sc3c(c2c1=O)CCCC3

Formula: C21H22N4O4S3

MW: 490.63 | LogP: 2.90

TPSA: 124.15

Patterns:

Vinyl

Detail

Select ID 915 DB fairmol

Z56900576

ID 915

C=CC/N=c1/scc(-c2ccco2)n1/N=C/c1ccc(O)c(O)c1O

Formula: C17H15N3O4S

MW: 357.39 | LogP: 2.90

TPSA: 103.48

Patterns:

Vinyl

Detail

Select ID 1054 DB fairmol

Z73436895

ID 1054

C=CCN(Cc1cccs1)C(=O)CSc1nnc(-c2ccc3c(c2)OCO3)o1

Formula: C19H17N3O4S2

MW: 415.50 | LogP: 3.83

TPSA: 77.69

Patterns:

Vinyl

Detail

Select ID 1220 DB fairmol

OHD_TC1_242

ID 1220

C=C[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2[C@H](O)c1cc(CC[C@@H](C)[C@@H]2CC[C@H]3[C@@H]4CC[C@@H]5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)nc2ccc(OC)cc12

Formula: C43H63N2O3+

MW: 655.99 | LogP: 7.34

TPSA: 67.02

Patterns:

Vinyl

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:

Vinyl

Detail

Select ID 1588 DB fairmol

NMT-TY0834

ID 1588

C=CCSc1nc(N)c(N)c(=O)[nH]1

Formula: C7H10N4OS

MW: 198.25 | LogP: 0.21

TPSA: 97.79

Patterns:

Vinyl

Detail

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