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Regex Pattern / motif 625 results

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625 results for Pattern / motif query

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Pattern / motif 625 results DB fairmol

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Query interpretation

Pattern registry Vnos: ester Ester

Select ID 64 DB fairmol

ulfkktlib_769

ID 64

O=C(N[C@H]1C(=O)N2C[C@H](C(=O)O)[C@@H](c3c(Cl)cccc3Cl)N2[C@@H]1c1ccccc1)OCc1ccccc1

Formula: C27H23Cl2N3O5

MW: 540.40 | LogP: 4.84

TPSA: 99.18

Patterns:

Ester

Detail

Select ID 94 DB fairmol

Z25474946

ID 94

CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)OCC(=O)N[C@@H]2CCCc3ccccc32)c1

Formula: C26H32N2O5S

MW: 484.62 | LogP: 3.99

TPSA: 92.78

Patterns:

Ester

Detail

Select ID 105 DB fairmol

OSA_Lib_43

ID 105

O=C(C[N@H+]1CC[C@H](O)CC1)O[C@H]1C[C@@]2([NH+]3CCCC3)C[C@H](c3ccccc3)[C@@H]1[C@H](c1ccccc1)C2

Formula: C31H42N2O3+2

MW: 490.69 | LogP: 1.74

TPSA: 55.41

Patterns:

Ester

Detail

Select ID 111 DB fairmol

OSA_Lib_222

ID 111

CN1CCN(CCC(=O)O[C@@H]2C[C@@]3([NH+](C)C)C[C@H](c4ccccc4)[C@@H]2[C@H](c2ccccc2)C3)CC1

Formula: C30H42N3O2+

MW: 476.69 | LogP: 2.80

TPSA: 37.22

Patterns:

Ester

Detail

Select ID 116 DB fairmol

OHD_Leishmania_441

ID 116

COC(=O)c1c(C)ncn1CC(c1c[nH]c2cc(Br)ccc12)c1c[nH]c2cc(Br)ccc12

Formula: C24H20Br2N4O2

MW: 556.26 | LogP: 6.30

TPSA: 75.70

Patterns:

Ester

Detail

Select ID 120 DB fairmol

Z32440330

ID 120

O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1c[nH]c2ccccc12)OCc1ccccc1

Formula: C29H28N4O3

MW: 480.57 | LogP: 4.85

TPSA: 99.01

Patterns:

Ester

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:

Ester

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:

Ester

Detail

Select ID 174 DB fairmol

OSA_Lib_192

ID 174

C[NH+](C)[C@@]12C[C@H](c3ccccc3)[C@@H]([C@H](OC(=O)C[NH+]3CCCCC3)C1)[C@H](c1ccccc1)C2

Formula: C29H40N2O2+2

MW: 448.65 | LogP: 2.23

TPSA: 35.18

Patterns:

Ester

Detail

Select ID 176 DB fairmol

OSA_Lib_200

ID 176

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

Formula: C31H34NO2+

MW: 452.62 | LogP: 4.88

TPSA: 30.74

Patterns:

Ester

Detail

Select ID 180 DB fairmol

OSA_Lib_101

ID 180

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

Formula: C33H36NO2+

MW: 478.66 | LogP: 5.41

TPSA: 30.74

Patterns:

Ester

Detail

Select ID 184 DB fairmol

Z18797958

ID 184

COc1ccc(CNC(=O)COC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1OC

Formula: C25H22N2O6

MW: 446.46 | LogP: 3.99

TPSA: 99.89

Patterns:

Ester

Detail

Select ID 200 DB fairmol

OSA_Lib_221

ID 200

CN1CCN(CCC(=O)O[C@H]2C[C@@]3([NH+]4CCCC4)C[C@H](c4ccccc4)[C@@H]2[C@H](c2ccccc2)C3)CC1

Formula: C32H44N3O2+

MW: 502.72 | LogP: 3.33

TPSA: 37.22

Patterns:

Ester

Detail

Select ID 202 DB fairmol

OSA_Lib_96

ID 202

C[NH+](C)[C@@]12C[C@H](c3ccccc3)[C@@H]([C@H](OC(=O)c3ccc(Cl)cc3)C1)[C@H](c1ccccc1)C2

Formula: C29H31ClNO2+

MW: 461.03 | LogP: 5.13

TPSA: 30.74

Patterns:

Ester

Detail

Select ID 205 DB fairmol

OSA_Lib_29

ID 205

C[NH+](C)[C@@]12C[C@H](c3ccccc3)[C@@H]([C@H](OC(=O)c3ccncc3)C1)[C@H](c1ccccc1)C2

Formula: C28H31N2O2+

MW: 427.57 | LogP: 3.87

TPSA: 43.63

Patterns:

Ester

Detail

Select ID 208 DB fairmol

ulfkktlib_903

ID 208

O=C(CNC(=O)c1ccccc1)N/C=C1N=C(/C(=C/c2ccccc2)NC(=O)c2ccccc2)OC/1=O

Formula: C28H22N4O5

MW: 494.51 | LogP: 2.80

TPSA: 125.96

Patterns:

Ester

Detail

Select ID 231 DB fairmol

OSA_Lib_82

ID 231

O=C(CCN1CCC(O)CC1)O[C@H]1C[C@@]2([NH+]3CCCC3)C[C@H](c3ccccc3)[C@@H]1[C@H](c1ccccc1)C2

Formula: C32H43N2O3+

MW: 503.71 | LogP: 3.54

TPSA: 54.21

Patterns:

Ester

Detail

Select ID 237 DB fairmol

OSA_Lib_35

ID 237

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

Formula: C29H32NO2+

MW: 426.58 | LogP: 4.48

TPSA: 30.74

Patterns:

Ester

Detail

Select ID 251 DB fairmol

OSA_Lib_84

ID 251

C[NH+](C)[C@]12C[C@H](OC(=O)CCN3CCC(O)CC3)[C@H]([C@@H](c3ccccc3)C1)[C@H](c1ccccc1)C2

Formula: C30H41N2O3+

MW: 477.67 | LogP: 3.01

TPSA: 54.21

Patterns:

Ester

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:

Ester

Detail

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