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Regex Pattern / motif 169 results

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169 results for Pattern / motif query

Cards

Pattern / motif 169 results DB fairmol

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Query interpretation

Pattern registry Vnos: acetal Acetal

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:

Acetal

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:

Acetal

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:

Acetal

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:

Acetal

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:

Acetal

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:

Acetal

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:

Acetal

Detail

Select ID 253 DB fairmol

OSA_Lib_202

ID 253

C[NH+](C)[C@@]12C[C@H](c3ccccc3)[C@@H]([C@H](OC(=O)c3ccc4c(c3)OCO4)C1)[C@H](c1ccccc1)C2

Formula: C30H32NO4+

MW: 470.59 | LogP: 4.21

TPSA: 49.20

Patterns:

Acetal

Detail

Select ID 285 DB fairmol

Z237995644

ID 285

N#Cc1ccccc1-c1ccc(CSc2nnc(-c3ccc4c(c3)OCO4)o2)cc1

Formula: C23H15N3O3S

MW: 413.46 | LogP: 5.30

TPSA: 81.17

Patterns:

Acetal

Detail

Select ID 287 DB fairmol

Z1213740102

ID 287

[NH2+]=c1c(C(=O)NCc2ccc3c(c2)OCO3)cc2c(=O)n3ccccc3nc2n1Cc1cccnc1

Formula: C26H21N6O4+

MW: 481.49 | LogP: 0.41

TPSA: 125.34

Patterns:

Acetal

Detail

Select ID 333 DB fairmol

OSA_Lib_201

ID 333

O=C(O[C@H]1C[C@]2([NH+]3CCCCC3)C[C@H](c3ccccc3)[C@H]1[C@@H](c1ccccc1)C2)c1ccc2c(c1)OCO2

Formula: C33H36NO4+

MW: 510.65 | LogP: 5.13

TPSA: 49.20

Patterns:

Acetal

Detail

Select ID 453 DB fairmol

Z19540043

ID 453

NC(=O)c1ccc(NC(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccc4c(c2)OCO4)CCC3)cc1

Formula: C31H25N3O6

MW: 535.56 | LogP: 4.73

TPSA: 129.84

Patterns:

Acetal

Detail

Select ID 494 DB fairmol

OHD_TbNat_130

ID 494

C[C@@H]1O[C@@H](O[C@@H]2[C@@H](OC(=O)[C@H]3CC[C@@H]4[C@H](C3)O[C@]3(C[C@@H](OC(=O)/C=C/c5ccccc5)[C@@H](C)CO3)[C@]43CO3)O[C@@H](CO)[C@@H](O)[C@H]2O)[C@@H](O)[C@@H](O)[C@H]1O

Formula: C36H48O16

MW: 736.76 | LogP: -0.86

TPSA: 232.66

Patterns:

Acetal

Detail

Select ID 543 DB fairmol

OSA_Lib_109

ID 543

O=C(O[C@H]1C[C@@]2([NH+]3CCCC3)C[C@H](c3ccccc3)[C@@H]1[C@H](c1ccccc1)C2)c1ccc2c(c1)OCO2

Formula: C32H34NO4+

MW: 496.63 | LogP: 4.74

TPSA: 49.20

Patterns:

Acetal

Detail

Select ID 579 DB fairmol

OHD_TbNat_104

ID 579

CC(C)=CC[C@@]12O[C@@H]1C(=O)c1c(O)ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1C2=O

Formula: C21H24O10

MW: 436.41 | LogP: -0.56

TPSA: 166.28

Patterns:

Acetal

Detail

Select ID 590 DB fairmol

OHD_TbNat_105

ID 590

CC1(C)C=CC2=C(O1)C(=O)c1c(O)ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1C2=O

Formula: C21H22O10

MW: 434.40 | LogP: -0.43

TPSA: 162.98

Patterns:

Acetal

Detail

Select ID 591 DB fairmol

OHD_Leishmania_45

ID 591

CC(=O)O[C@H]1[C@@H](O[C@H]2[C@@H]3C=CO[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@@H]4O)[C@@H]3[C@@]3(CO)O[C@@H]23)O[C@H](C)[C@H](OC(=O)/C=C\c2ccccc2)[C@H]1OC(=O)/C=C\c1ccccc1

Formula: C41H46O17

MW: 810.80 | LogP: 0.36

TPSA: 238.73

Patterns:

Acetal

Detail

Select ID 644 DB fairmol

OHD_Babesia_21

ID 644

COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)[C@H](O[C@H]1C[C@H]([NH3+])[C@H](O)[C@@H](C)O1)C[C@@](O)(C(=O)CO)C3

Formula: C27H30NO11+

MW: 544.53 | LogP: -0.72

TPSA: 207.69

Patterns:

Acetal

Detail

Select ID 646 DB fairmol

OHD_Babesia_19

ID 646

CC(=O)[C@@]1(O)Cc2c(O)c3c(c(O)c2[C@H](O[C@H]2C[C@@H]([NH3+])[C@@H](O)[C@@H](C)O2)C1)C(=O)c1ccccc1C3=O

Formula: C26H28NO9+

MW: 498.51 | LogP: 0.30

TPSA: 178.23

Patterns:

Acetal

Detail

Select ID 650 DB fairmol

OHD_TbNat_136

ID 650

CC(=O)O[C@H]1[C@H](OC(=O)/C=C/c2ccc(O)cc2)[C@@H](Oc2c(-c3ccc(O)cc3)oc3cc(O)cc(O)c3c2=O)O[C@H](COC(=O)/C=C/c2ccc(O)cc2)[C@H]1OC(C)=O

Formula: C43H36O17

MW: 824.74 | LogP: 4.84

TPSA: 255.02

Patterns:

Acetal

Detail

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