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Regex Pattern / motif 749 results

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749 results for Pattern / motif query

Cards

Pattern / motif 749 results DB fairmol

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Query interpretation

Pattern registry Vnos: catechol Catechol

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:

Catechol

Detail

Select ID 20 DB fairmol

Z2940609369

ID 20

Oc1ccc(C[C@@H]2NCCc3cc(O)c(O)cc32)cc1

Formula: C16H17NO3

MW: 271.32 | LogP: 2.23

TPSA: 72.72

Patterns:

Catechol

Detail

Select ID 42 DB fairmol

Z49724748

ID 42

Cc1cc(SCC(=O)N/N=C\c2ccc(O)c(O)c2O)c(C)cc1Br

Formula: C17H17BrN2O4S

MW: 425.30 | LogP: 3.43

TPSA: 102.15

Patterns:

Catechol

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:

Catechol

Detail

Select ID 51 DB fairmol

Z56821211

ID 51

Cn1c(SCC(=O)N/N=C\c2ccc(O)c(O)c2)nc2ccccc21

Formula: C17H16N4O3S

MW: 356.41 | LogP: 2.23

TPSA: 99.74

Patterns:

Catechol

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:

Catechol

Detail

Select ID 73 DB fairmol

MK155

ID 73

Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(c1nnc(CCc3ccc(O)c(O)c3)o1)O2

Formula: C23H26N2O5

MW: 410.47 | LogP: 4.14

TPSA: 108.84

Patterns:

Catechol

Detail

Select ID 76 DB fairmol

KB_Leish_46

ID 76

O=C(CN1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1ccc2c(c1)OCO2)Nc1ccc(Cl)cc1Cl

Formula: C24H26Cl2N2O4

MW: 477.39 | LogP: 5.03

TPSA: 71.03

Patterns:

Catechol

Detail

Select ID 100 DB fairmol

Z19456272

ID 100

O=S(=O)(c1cccc(CSc2nnc(-c3ccc4c(c3)OCO4)o2)c1)N1CCOCC1

Formula: C20H19N3O6S2

MW: 461.52 | LogP: 2.78

TPSA: 103.99

Patterns:

Catechol

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:

Catechol

Detail

Select ID 125 DB fairmol

Z18798950

ID 125

O=C(COC(=O)c1cc(-c2ccco2)nc2ccccc12)NCc1ccc2c(c1)OCO2

Formula: C24H18N2O6

MW: 430.42 | LogP: 3.70

TPSA: 99.89

Patterns:

Catechol

Detail

Select ID 135 DB fairmol

MK217

ID 135

Cc1c(C)c2c(c(C)c1O)CC[C@](C)(c1nnc(CCc3ccc(O)c(O)c3)s1)O2

Formula: C23H26N2O4S

MW: 426.54 | LogP: 4.61

TPSA: 95.70

Patterns:

Catechol

Detail

Select ID 139 DB fairmol

OHD_TC1_128

ID 139

O=C(NCC[C@H]1CC[N@@H+](Cc2ccccc2)CC1)Nc1ncc(-c2ccc3c(c2)OCO3)[nH]1

Formula: C25H30N5O3+

MW: 448.55 | LogP: 2.81

TPSA: 92.71

Patterns:

Catechol

Detail

Select ID 142 DB fairmol

Z56893343

ID 142

COc1cc(C(=O)NC(=S)N(CCc2ccccc2)CCc2ccccc2)cc(OC)c1OC

Formula: C27H30N2O4S

MW: 478.61 | LogP: 4.51

TPSA: 60.03

Patterns:

Catechol

Detail

Select ID 148 DB fairmol

Z19650505

ID 148

O=C(CSc1nc2ccccc2[nH]1)Nc1ccc2c(c1)OCO2

Formula: C16H13N3O3S

MW: 327.37 | LogP: 3.02

TPSA: 76.24

Patterns:

Catechol

Detail

Select ID 154 DB fairmol

Z54938583

ID 154

COc1ccc(-c2nnc(S[C@H](C(=O)c3c[nH]c4ccccc34)c3ccccc3)n2N)cc1OC

Formula: C26H23N5O3S

MW: 485.57 | LogP: 4.87

TPSA: 108.05

Patterns:

Catechol

Detail

Select ID 159 DB fairmol

OHD_TbNat_127

ID 159

COc1cc2c3c(c1O)Oc1ccc(cc1)C[C@@H]1c4cc(ccc4CC[N@H+]1C)Oc1cc(ccc1O)C[C@H]3[N@H+](C)CC2

Formula: C35H38N2O5+2

MW: 566.70 | LogP: 3.71

TPSA: 77.03

Patterns:

Catechol

Detail

Select ID 161 DB fairmol

Z44349777

ID 161

COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1OC

Formula: C18H17N3O5S

MW: 387.42 | LogP: 1.90

TPSA: 131.51

Patterns:

Catechol

Detail

Select ID 167 DB fairmol

MK220

ID 167

Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CCc1cn(CCc3ccc(O)c(O)c3)nn1)O2

Formula: C25H31N3O4

MW: 437.54 | LogP: 4.28

TPSA: 100.63

Patterns:

Catechol

Detail

Select ID 169 DB fairmol

MK160

ID 169

Cc1c(C)c2c(c(C)c1O)CC[C@](C)(c1nc(CCc3ccc(O)c(O)c3)no1)O2

Formula: C23H26N2O5

MW: 410.47 | LogP: 4.14

TPSA: 108.84

Patterns:

Catechol

Detail

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