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Regex Pattern / motif 264 results

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264 results for Pattern / motif query

Cards

Pattern / motif 264 results DB Docking_panel_21

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Query interpretation

Pattern registry Vnos: fluorine Fluorine

Select ID 17 DB Docking_panel_21

OHD_TB2020_31

ID 17

O=c1n(Cc2nc3nc(Cl)ccc3[nH]2)cc(Cc2ccc(Cl)cc2Cl)n1CC(F)F

Formula: C19H14Cl3F2N5O

MW: 472.71 | LogP: 4.79

TPSA: 68.50

Patterns:

Fluorine

Detail

Select ID 51 DB Docking_panel_21

Z278071350

ID 51

O=C(CCc1nc2ccccc2c(=O)[nH]1)Nc1ncc(Cc2ccc(F)c(F)c2)s1

Formula: C21H16F2N4O2S

MW: 426.45 | LogP: 3.82

TPSA: 87.74

Patterns:

Fluorine

Detail

Select ID 57 DB Docking_panel_21

Z32749009

ID 57

O=C(c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)N1CCN(c2cccc[nH+]2)CC1

Formula: C22H22FN4O3S+

MW: 441.51 | LogP: 2.40

TPSA: 83.86

Patterns:

Fluorine

Detail

Select ID 78 DB Docking_panel_21

KB_chagas_34

ID 78

O=c1ccc2ccc(F)c3c2n1C[C@H]3C[N@H+]1CC[C@@H](NCc2cc3ccccc3o2)CC1

Formula: C26H27FN3O2+

MW: 432.52 | LogP: 2.82

TPSA: 51.61

Patterns:

Fluorine

Detail

Select ID 176 DB Docking_panel_21

OHD_ACDS_33

ID 176

Fc1ccc(C[NH2+]CC(c2c[nH]c3cc(Br)ccc23)c2c[nH]c3cc(Br)ccc23)cc1

Formula: C25H21Br2FN3+

MW: 542.27 | LogP: 6.21

TPSA: 48.19

Patterns:

Fluorine

Detail

Select ID 189 DB Docking_panel_21

OHD_MAC_31

ID 189

COc1cc(/C=N/Nc2ncnc3c(Nc4ccc(F)c(Cl)c4)ncnc23)ccc1O

Formula: C20H15ClFN7O2

MW: 439.84 | LogP: 4.12

TPSA: 117.44

Patterns:

Fluorine

Detail

Select ID 197 DB Docking_panel_21

OHD_TB2020_5

ID 197

COc1nc2ccccc2cc1-c1cnc([C@@H]2C[N@H+](C[C@H]3CCOC3)CCN2C(=O)n2c(C(F)(F)F)nc3ccccc32)[nH]1

Formula: C31H31F3N7O3+

MW: 606.63 | LogP: 3.95

TPSA: 102.60

Patterns:

Fluorine

Detail

Select ID 201 DB Docking_panel_21

Z49976331

ID 201

C[C@@]1(c2ccc(OC(F)F)cc2)N=C(O)N(/N=C\c2c(O)ccc3ccccc23)C1=O

Formula: C22H17F2N3O4

MW: 425.39 | LogP: 4.15

TPSA: 94.72

Patterns:

Fluorine

Detail

Select ID 212 DB Docking_panel_21

OHD_MAC_28

ID 212

Oc1ccc(/C=N/Nc2ncnc3c(Nc4ccc(F)c(Cl)c4)ncnc23)cc1O

Formula: C19H13ClFN7O2

MW: 425.81 | LogP: 3.81

TPSA: 128.44

Patterns:

Fluorine

Detail

Select ID 227 DB Docking_panel_21

KB_HAT_8

ID 227

O=c1ccc2ccc(F)c3c2n1C[C@H]3C[N@H+]1CC[N@@H+](C[C@H](O)c2cc3c(cn2)OCS3)CC1

Formula: C24H27FN4O3S+2

MW: 470.57 | LogP: -0.41

TPSA: 73.23

Patterns:

Fluorine

Detail

Select ID 230 DB Docking_panel_21

KB_chagas_25

ID 230

O=C(NCc1cc[nH+]cc1)c1ccccc1N1CCCN(C(=O)Cc2ccc(F)c(F)c2)CC1

Formula: C26H27F2N4O2+

MW: 465.52 | LogP: 2.99

TPSA: 66.79

Patterns:

Fluorine

Detail

Select ID 242 DB Docking_panel_21

Z59307873

ID 242

Cc1ccc/c(=N/C(=O)c2cc(S(=O)(=O)N(C)c3ccc(F)cc3)ccc2Cl)[nH]1

Formula: C20H17ClFN3O3S

MW: 433.89 | LogP: 3.68

TPSA: 82.60

Patterns:

Fluorine

Detail

Select ID 263 DB Docking_panel_21

KB_Leish_75

ID 263

COc1cnc2ccc(=O)n(CC[N@H+]3CC[C@@H](NC/C=C/c4cc(F)ccc4F)CC3)c2c1

Formula: C25H29F2N4O2+

MW: 455.53 | LogP: 2.03

TPSA: 60.59

Patterns:

Fluorine

Detail

Select ID 289 DB Docking_panel_21

OHD_MV-44

ID 289

NC1=NC(=[NH2+])N(c2ccc(F)cc2)C2(CCN(Cc3ccccc3)CC2)N1

Formula: C20H24FN6+

MW: 367.45 | LogP: 0.66

TPSA: 82.48

Patterns:

Fluorine

Detail

Select ID 290 DB Docking_panel_21

Z57045660

ID 290

C/N=C1\S[C@@H](CC(=O)Nc2ccc(F)cc2F)C(=O)N1/N=C\c1ccc(OC(F)F)c(OC)c1

Formula: C21H18F4N4O4S

MW: 498.46 | LogP: 3.87

TPSA: 92.59

Patterns:

Fluorine

Detail

Select ID 310 DB Docking_panel_21

OHD_MAC_74

ID 310

Oc1cc(/C=[NH+]/N=c2\[nH]cnc3c(Nc4ccc(F)cc4)[nH+]cnc23)cc(O)c1O

Formula: C19H16FN7O3+2

MW: 409.38 | LogP: -0.21

TPSA: 154.76

Patterns:

Fluorine

Detail

Select ID 312 DB Docking_panel_21

OHD_TB2021_72

ID 312

Cc1ccc(C[C@@H](NC(=O)c2ccncc2)C(=O)N[C@@H](/C=C(/F)S(=O)(=O)Oc2ccccc2)CCc2ccccc2)cc1

Formula: C33H32FN3O5S

MW: 601.70 | LogP: 5.07

TPSA: 114.46

Patterns:

Fluorine

Detail

Select ID 314 DB Docking_panel_21

Z16284068

ID 314

CCOc1cc(/C=C2/N=C(S[C@@H](C)C(N)=O)N(c3ccc(OC(F)F)cc3)C2=O)ccc1O

Formula: C22H21F2N3O5S

MW: 477.49 | LogP: 3.74

TPSA: 114.45

Patterns:

Fluorine

Detail

Select ID 318 DB Docking_panel_21

OHD_MAC_29

ID 318

Oc1cc(/C=N/Nc2ncnc3c(Nc4ccc(F)c(Cl)c4)ncnc23)cc(O)c1O

Formula: C19H13ClFN7O3

MW: 441.81 | LogP: 3.52

TPSA: 148.67

Patterns:

Fluorine

Detail

Select ID 330 DB Docking_panel_21

OHD_MAC_32

ID 330

COc1cc(/C=N/Nc2ncnc3c(Nc4ccc(F)c(Cl)c4)ncnc23)cc(OC)c1O

Formula: C21H17ClFN7O3

MW: 469.86 | LogP: 4.12

TPSA: 126.67

Patterns:

Fluorine

Detail

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