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Regex Pattern / motif 13 results

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13 results for Pattern / motif query

Cards

Pattern / motif 13 results DB fairmol

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Query interpretation

Pattern registry Vnos: difluoromethyl Difluoromethyl

Select ID 186 DB fairmol

Z25575620

ID 186

Nn1c(SCC(=O)NC(=O)NCc2ccco2)nnc1-c1ccc(OC(F)F)cc1

Formula: C17H16F2N6O4S

MW: 438.42 | LogP: 1.97

TPSA: 137.30

Patterns:

Difluoromethyl

Detail

Select ID 274 DB fairmol

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:

Difluoromethyl

Detail

Select ID 500 DB fairmol

Z56871509

ID 500

O=S(=O)(N=C1C=CC(=C(O)Nc2nc3ccc(SC(F)F)cc3s2)C=C1)c1ccc(F)c(F)c1

Formula: C21H13F4N3O3S3

MW: 527.55 | LogP: 6.03

TPSA: 91.65

Patterns:

Difluoromethyl

Detail

Select ID 661 ★ Native ligand DB fairmol

5SD8

ID 661

CCc1nc(N)nc(N)c1OCCCOc1ccccc1C[C@H](C([O])=O)C(F)F

Formula: C19H23F2N4O4

MW: 409.41 | LogP: 2.43

TPSA: 133.25

Patterns:

Difluoromethyl

Detail

Select ID 766 DB fairmol

Z16284068

ID 766

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:

Difluoromethyl

Detail

Select ID 945 DB fairmol

Z49976331

ID 945

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

Formula: C22H17F2N3O4

MW: 425.39 | LogP: 3.95

TPSA: 91.23

Patterns:

Difluoromethyl

Detail

Select ID 1908 DB fairmol

Z18875956

ID 1908

O=C(CNC(=O)c1cccc(OC(F)F)c1)OCc1cc(=O)n2cc(Br)ccc2n1

Formula: C19H14BrF2N3O5

MW: 482.24 | LogP: 2.53

TPSA: 99.00

Patterns:

Difluoromethyl

Detail

Select ID 2484 DB fairmol

Z18316993

ID 2484

O=C(COc1cccc(Oc2ccccc2)c1)Nc1ccc(SC(F)F)cc1

Formula: C21H17F2NO3S

MW: 401.43 | LogP: 5.81

TPSA: 47.56

Patterns:

Difluoromethyl

Detail

Select ID 3401 DB fairmol

KB_HAT_137

ID 3401

COc1cc(-c2noc(CC#N)n2)ccc1OC(F)F

Formula: C12H9F2N3O3

MW: 281.22 | LogP: 2.41

TPSA: 81.17

Patterns:

Difluoromethyl

Detail

Select ID 3507 DB fairmol

Z57045660

ID 3507

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:

Difluoromethyl

Detail

Select ID 4253 DB fairmol

Z16284068

ID 4253

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:

Difluoromethyl

Detail

Select ID 4528 DB fairmol

Z49951641

ID 4528

FC(F)Oc1ccc(/C=N\n2c(Cc3ccc(Br)cc3)n[nH]c2=S)cc1

Formula: C17H13BrF2N4OS

MW: 439.29 | LogP: 4.78

TPSA: 55.20

Patterns:

Difluoromethyl

Detail

Select ID 5311 DB fairmol

Z16284068

ID 5311

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:

Difluoromethyl

Detail