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Regex Pattern / motif 60 results

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60 results for Pattern / motif query

Cards

Pattern / motif 60 results DB Docking_panel_21

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Query interpretation

Pattern registry Vnos: benzodioxole Benzodioxole

Select ID 96 DB Docking_panel_21

KB_Leish_72

ID 96

Cc1cc2cc(CNc3ccc4c(c3)OCO4)c(=O)n(CCO)c2cc1C

Formula: C21H22N2O4

MW: 366.42 | LogP: 2.95

TPSA: 72.72

Patterns:

Benzodioxole

Detail

Select ID 101 DB Docking_panel_21

Z18509545

ID 101

C[C@@H](C(=O)NCc1ccc2c(c1)OCO2)N1c2cccc3cccc(c23)S1(=O)=O

Formula: C21H18N2O5S

MW: 410.45 | LogP: 2.78

TPSA: 84.94

Patterns:

Benzodioxole

Detail

Select ID 136 DB Docking_panel_21

Z24181579

ID 136

C=CCn1c(SCC(=O)NCc2ccc3c(c2)OCO3)nnc1[C@H]1COc2ccccc2O1

Formula: C23H22N4O5S

MW: 466.52 | LogP: 3.11

TPSA: 96.73

Patterns:

Benzodioxole

Detail

Select ID 143 DB Docking_panel_21

KB_Leish_46

ID 143

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:

Benzodioxole

Detail

Select ID 157 DB Docking_panel_21

Z15911917

ID 157

Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccc2)n1Cc1ccc2c(c1)OCO2

Formula: C26H24N4O3S

MW: 472.57 | LogP: 5.07

TPSA: 78.27

Patterns:

Benzodioxole

Detail

Select ID 255 DB Docking_panel_21

OHD_TC1_128

ID 255

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:

Benzodioxole

Detail

Select ID 273 DB Docking_panel_21

OSA_Lib_202

ID 273

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:

Benzodioxole

Detail

Select ID 280 DB Docking_panel_21

Z18798950

ID 280

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

Formula: C24H18N2O6

MW: 430.42 | LogP: 3.70

TPSA: 99.89

Patterns:

Benzodioxole

Detail

Select ID 285 DB Docking_panel_21

Z24314037

ID 285

Cn1c(SCC(=O)NCc2ccc3c(c2)OCO3)nnc1[C@H]1COc2ccccc2O1

Formula: C21H20N4O5S

MW: 440.48 | LogP: 2.46

TPSA: 96.73

Patterns:

Benzodioxole

Detail

Select ID 316 DB Docking_panel_21

OSA_Lib_109

ID 316

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:

Benzodioxole

Detail

Select ID 373 DB Docking_panel_21

OSA_Lib_201

ID 373

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:

Benzodioxole

Detail

Select ID 429 DB Docking_panel_21

Z1213740102

ID 429

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

Formula: C26H21N6O4+

MW: 481.49 | LogP: 0.41

TPSA: 125.34

Patterns:

Benzodioxole

Detail

Select ID 446 DB Docking_panel_21

Z19540043

ID 446

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:

Benzodioxole

Detail

Select ID 574 DB Docking_panel_21

KB_Leish_46

ID 574

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

Formula: C24H27Cl2N2O4+

MW: 478.40 | LogP: 3.61

TPSA: 72.23

Patterns:

Benzodioxole

Detail

Select ID 579 DB Docking_panel_21

Z126938578

ID 579

O=C(c1ccc2c(c1)OCO2)N1CCC(n2c(=O)[nH]c3ccccc32)CC1

Formula: C20H19N3O4

MW: 365.39 | LogP: 2.54

TPSA: 76.56

Patterns:

Benzodioxole

Detail

Select ID 635 DB Docking_panel_21

OSA_Lib_202

ID 635

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

Formula: C30H32NO4+

MW: 470.59 | LogP: 4.21

TPSA: 49.20

Patterns:

Benzodioxole

Detail

Select ID 710 DB Docking_panel_21

OSA_Lib_109

ID 710

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:

Benzodioxole

Detail

Select ID 712 DB Docking_panel_21

OSA_Lib_201

ID 712

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:

Benzodioxole

Detail

Select ID 819 DB Docking_panel_21

Z49712217

ID 819

C(=N/Nc1ccc2ccccc2n1)/c1ccc2c(c1)OCO2

Formula: C17H13N3O2

MW: 291.31 | LogP: 3.41

TPSA: 55.74

Patterns:

Benzodioxole

Detail

Select ID 850 DB Docking_panel_21

Z19456393

ID 850

COc1ccc(C2=NC[C@H](CSc3nnc(-c4ccc5c(c4)OCO5)o3)S2)cc1

Formula: C20H17N3O4S2

MW: 427.51 | LogP: 4.13

TPSA: 78.97

Patterns:

Benzodioxole

Detail

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