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12 results for Pattern / motif query
Pattern / motif 12 results DB demo
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Query interpretation
Pattern registry Vnos: fluorine Fluorine
ID 274 DB demo
2D structure

OHD_TB2020_31

ID 274

O=c1n(Cc2nc3ccc(Cl)nc3[nH]2)cc(Cc2ccc(Cl)cc2Cl)n1CC(F)F

Formula: C19H14Cl3F2N5O

MW: 472.71 | LogP: 4.79

TPSA: 68.50

Patterns:

ID 388 DB demo
2D structure

KB_HAT_138

ID 388

CS(=O)(=O)c1ccc(Nc2nccc(Nc3n[nH]c4ccc(F)cc34)n2)c(F)c1

Formula: C18H14F2N6O2S

MW: 416.41 | LogP: 3.52

TPSA: 112.66

Patterns:

ID 1140 DB demo
2D structure

Z30002984

ID 1140

O=C(Nc1cccc(S(=O)(=O)NCc2ccco2)c1)c1cc(-c2ccc(F)cc2)nc2ccccc12

Formula: C27H20FN3O4S

MW: 501.54 | LogP: 5.36

TPSA: 101.30

Patterns:

ID 1805 DB demo
2D structure

KB_HAT_192

ID 1805

O=[S@@]1N=C(NCCCN(Cc2ccc(F)cc2)c2ccccn2)/C(=N/Cc2ccncc2)N1

Formula: C23H24FN7OS

MW: 465.56 | LogP: 2.78

TPSA: 94.87

Patterns:

ID 1976 DB demo
2D structure

OHD_TB2021_16

ID 1976

Nc1ncnc2c1c(I)cn2[C@@H]1O[C@H](CO)[C@@H](F)[C@H]1O

Formula: C11H12FIN4O3

MW: 394.14 | LogP: 0.21

TPSA: 106.42

Patterns:

ID 2876 DB demo
2D structure

Z166606608

ID 2876

O=C1CCC(=O)N1c1cc(Cc2[nH+]nc(O)c3ccccc23)ccc1F

Formula: C19H15FN3O3+

MW: 352.35 | LogP: 2.14

TPSA: 84.64

Patterns:

ID 3099 DB demo
2D structure

Z28652141

ID 3099

O=C(Nc1nnc(SCc2ccc(F)cc2)s1)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O

Formula: C24H14ClFN4O3S2

MW: 524.99 | LogP: 5.68

TPSA: 92.26

Patterns:

ID 3843 DB demo
2D structure

KB_chagas_219

ID 3843

FC(F)(F)c1cc([C@@H]2CCC[N@H+](Cc3c[nH]c4ccccc34)C2)nc2ncnn12

Formula: C20H20F3N6+

MW: 401.42 | LogP: 2.59

TPSA: 63.31

Patterns:

ID 5037 DB demo
2D structure

OHD_TC1_70

ID 5037

FC(F)(F)c1cccc(/C=C/c2nc3ccccc3n2CNc2cccnc2)c1

Formula: C22H17F3N4

MW: 394.40 | LogP: 5.69

TPSA: 42.74

Patterns:

ID 5135 DB demo
2D structure

ulfkktlib_987

ID 5135

CC(=O)c1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3)oc2-c2cc3ccccc3cn2)cc1

Formula: C28H18F3NO2

MW: 457.45 | LogP: 8.05

TPSA: 43.10

Patterns:

ID 5343 DB demo
2D structure

TC455

ID 5343

C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]21CC=C(CF)CO1

Formula: C24H35FO2

MW: 374.54 | LogP: 5.37

TPSA: 29.46

Patterns:

ID 5477 DB demo
2D structure

KB_HAT_22

ID 5477

O=C(NCc1nnc2n1CCCCC2)c1ccc(-c2ccc(F)cc2)o1

Formula: C19H19FN4O2

MW: 354.38 | LogP: 3.33

TPSA: 72.95

Patterns: