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Regex Pattern / motif 930 results

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930 results for Pattern / motif query

Cards

Pattern / motif 930 results DB fairmol

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Query interpretation

Pattern registry Vnos: chlorine Chlorine

Select ID 1 DB fairmol

OHD_TC2_31

ID 1

NC(=S)N/N=C/c1ccc(-c2ccc(Br)cc2Cl)o1

Formula: C12H9BrClN3OS

MW: 358.65 | LogP: 3.53

TPSA: 63.55

Patterns:

Chlorine

Detail

Select ID 11 DB fairmol

KB_chagas_114

ID 11

CS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3ccc(Cl)s3)cs2)cc1

Formula: C16H13ClN2O3S3

MW: 412.95 | LogP: 4.11

TPSA: 76.13

Patterns:

Chlorine

Detail

Select ID 12 DB fairmol

Z45901653

ID 12

O=S(=O)(c1ccc(Br)cc1Cl)N1CCN(C(=S)NCc2ccccc2)CC1

Formula: C18H19BrClN3O2S2

MW: 488.86 | LogP: 3.48

TPSA: 52.65

Patterns:

Chlorine

Detail

Select ID 14 DB fairmol

OHD_TC1_72

ID 14

Clc1cc(Br)ccc1-c1ccc(C[NH2+]CC2CC[NH2+]CC2)o1

Formula: C17H22BrClN2O+2

MW: 385.73 | LogP: 2.40

TPSA: 46.36

Patterns:

Chlorine

Detail

Select ID 21 DB fairmol

OHD_TC1_133

ID 21

Clc1ccc(-c2cc([C@@H](c3ccc(Cl)cc3)n3cc[nH+]c3)c[nH]2)cc1

Formula: C20H16Cl2N3+

MW: 369.28 | LogP: 5.24

TPSA: 34.86

Patterns:

Chlorine

Detail

Select ID 30 DB fairmol

KB_chagas_205

ID 30

O=C(CSc1ccc(-c2ccccn2)nn1)Nc1ccc(Cl)cc1

Formula: C17H13ClN4OS

MW: 356.84 | LogP: 3.92

TPSA: 67.77

Patterns:

Chlorine

Detail

Select ID 31 DB fairmol

OHD_TB2022_44

ID 31

Nc1nc(N)c2cc(CNc3cc(Cl)ccc3Cl)ccc2[nH+]1

Formula: C15H14Cl2N5+

MW: 335.22 | LogP: 3.13

TPSA: 91.10

Patterns:

Chlorine

Detail

Select ID 32 DB fairmol

KB_chagas_102

ID 32

Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)/C=C\c1sc2ccccc2c1Cl

Formula: C22H24ClN3O3S2

MW: 478.04 | LogP: 4.40

TPSA: 72.27

Patterns:

Chlorine

Detail

Select ID 34 DB fairmol

OHD_Leishmania_407

ID 34

C[C@@H](c1cc(Cl)cc(Cl)c1)N(C)c1ncc2c(N)nc(N)[nH+]c2n1

Formula: C15H16Cl2N7+

MW: 365.25 | LogP: 2.51

TPSA: 108.09

Patterns:

Chlorine

Detail

Select ID 39 DB fairmol

Z29700516

ID 39

Cc1ccc(Cl)cc1N1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)CC1

Formula: C24H31ClN4O3S

MW: 491.06 | LogP: 3.46

TPSA: 64.17

Patterns:

Chlorine

Detail

Select ID 40 DB fairmol

OHD_TB2020_35

ID 40

CCn1c(Cc2ccc(OC)cc2Cl)cn(Cc2nc3nc(F)ccc3[nH]2)c1=O

Formula: C20H19ClFN5O2

MW: 415.86 | LogP: 3.38

TPSA: 77.73

Patterns:

Chlorine

Detail

Select ID 41 DB fairmol

Z55505580

ID 41

Cc1ccc(O)c(C(=O)c2cnn(C(=O)COc3ccc(Cl)cc3)c2)c1

Formula: C19H15ClN2O4

MW: 370.79 | LogP: 3.50

TPSA: 81.42

Patterns:

Chlorine

Detail

Select ID 45 DB fairmol

Z31183768

ID 45

Cc1noc(C)c1CSc1nc2ccccc2[nH]/c1=N\S(=O)(=O)c1ccc(Cl)cc1

Formula: C20H17ClN4O3S2

MW: 460.97 | LogP: 4.40

TPSA: 101.21

Patterns:

Chlorine

Detail

Select ID 46 DB fairmol

Z56849599

ID 46

O=c1c2ccccc2sn1-c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1

Formula: C19H13ClN2O3S2

MW: 416.91 | LogP: 4.51

TPSA: 68.17

Patterns:

Chlorine

Detail

Select ID 54 DB fairmol

KB_Leish_178

ID 54

O=C(CN1CCN(c2cccc[nH+]2)CC1)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl

Formula: C23H31ClN5O3S+

MW: 493.05 | LogP: 2.48

TPSA: 87.10

Patterns:

Chlorine

Detail

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:

Chlorine

Detail

Select ID 70 DB fairmol

KB_HAT_71

ID 70

COc1cnc2ccc(=O)n(CCN3CCC(NC(=O)Cc4ccc(Cl)c(Cl)c4)CC3)c2c1

Formula: C24H26Cl2N4O3

MW: 489.40 | LogP: 3.54

TPSA: 76.46

Patterns:

Chlorine

Detail

Select ID 72 DB fairmol

MK190

ID 72

O=C(NCC1(COc2ccc(-c3cc(=S)ss3)cc2)CCCCC1)c1cc(CO)ccc1Cl

Formula: C25H26ClNO3S3

MW: 520.14 | LogP: 7.11

TPSA: 58.56

Patterns:

Chlorine

Detail

Select ID 75 DB fairmol

ulfkktlib_689

ID 75

O=C(N[C@@H]1C(=O)N/[N+](=C\c2c(Cl)cccc2Cl)[C@H]1c1c[nH]c2ccccc12)c1ccccc1

Formula: C25H19Cl2N4O2+

MW: 478.36 | LogP: 4.49

TPSA: 77.00

Patterns:

Chlorine

Detail

Select ID 76 DB fairmol

KB_Leish_46

ID 76

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:

Chlorine

Detail

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