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Regex Pattern / motif 182 results

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182 results for Pattern / motif query

Cards

Pattern / motif 182 results DB fairmol

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Query interpretation

Pattern registry Vnos: indole Indole

Select ID 24 DB fairmol

OHD_ACDS_29

ID 24

N#Cc1ccc2[nH]cc(C(C[NH3+])c3c[nH]c4ccc(C#N)cc34)c2c1

Formula: C20H16N5+

MW: 326.38 | LogP: 2.77

TPSA: 106.80

Patterns:

Indole

Detail

Select ID 28 DB fairmol

Z56784505

ID 28

O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N/N=C\c1ccc(Br)cc1)c1cccs1

Formula: C23H19BrN4O2S

MW: 495.40 | LogP: 4.48

TPSA: 86.35

Patterns:

Indole

Detail

Select ID 33 DB fairmol

OHD_TbNat_160

ID 33

Cc1cc(C)cc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)c1

Formula: C29H31N4O2+

MW: 467.59 | LogP: 3.14

TPSA: 90.60

Patterns:

Indole

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:

Indole

Detail

Select ID 116 DB fairmol

OHD_Leishmania_441

ID 116

COC(=O)c1c(C)ncn1CC(c1c[nH]c2cc(Br)ccc12)c1c[nH]c2cc(Br)ccc12

Formula: C24H20Br2N4O2

MW: 556.26 | LogP: 6.30

TPSA: 75.70

Patterns:

Indole

Detail

Select ID 120 DB fairmol

Z32440330

ID 120

O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCc1c[nH]c2ccccc12)OCc1ccccc1

Formula: C29H28N4O3

MW: 480.57 | LogP: 4.85

TPSA: 99.01

Patterns:

Indole

Detail

Select ID 132 DB fairmol

Z57985071

ID 132

O=C(C[C@H]1S/C(=N\c2ccccc2)N(CCc2c[nH]c3ccccc23)C1=O)Nc1ccccc1F

Formula: C27H23FN4O2S

MW: 486.57 | LogP: 5.51

TPSA: 77.56

Patterns:

Indole

Detail

Select ID 150 DB fairmol

OHD_ACDS_44

ID 150

O=C(NCC(c1c[nH]c2cc(Br)ccc12)c1c[nH]c2cc(Br)ccc12)c1ccco1

Formula: C23H17Br2N3O2

MW: 527.22 | LogP: 6.33

TPSA: 73.82

Patterns:

Indole

Detail

Select ID 153 DB fairmol

OHD_ACDS_25

ID 153

[NH3+]CC(c1c[nH]c2cc(Cl)ccc12)c1c[nH]c2cc(Cl)ccc12

Formula: C18H16Cl2N3+

MW: 345.25 | LogP: 4.33

TPSA: 59.22

Patterns:

Indole

Detail

Select ID 154 DB fairmol

Z54938583

ID 154

COc1ccc(-c2nnc(S[C@H](C(=O)c3c[nH]c4ccccc34)c3ccccc3)n2N)cc1OC

Formula: C26H23N5O3S

MW: 485.57 | LogP: 4.87

TPSA: 108.05

Patterns:

Indole

Detail

Select ID 162 DB fairmol

OHD_ACDS_48

ID 162

O=S(=O)(NCC(c1c[nH]c2cc(Br)ccc12)c1c[nH]c2cc(Br)ccc12)c1cccs1

Formula: C22H17Br2N3O2S2

MW: 579.34 | LogP: 6.35

TPSA: 77.75

Patterns:

Indole

Detail

Select ID 164 DB fairmol

Z1157834224

ID 164

N#CCSc1nc2ccccc2c2nc(CCc3c[nH]c4ccccc34)nn12

Formula: C21H16N6S

MW: 384.47 | LogP: 4.16

TPSA: 82.66

Patterns:

Indole

Detail

Select ID 232 DB fairmol

OHD_ACDS_27

ID 232

[NH3+]CC(c1c[nH]c2ccc(I)cc12)c1c[nH]c2ccc(I)cc12

Formula: C18H16I2N3+

MW: 528.16 | LogP: 4.23

TPSA: 59.22

Patterns:

Indole

Detail

Select ID 250 DB fairmol

OHD_ACDS_38

ID 250

Brc1ccc2c(C(CNCc3cccs3)c3c[nH]c4cc(Br)ccc34)c[nH]c2c1

Formula: C23H19Br2N3S

MW: 529.30 | LogP: 7.16

TPSA: 43.61

Patterns:

Indole

Detail

Select ID 267 DB fairmol

OHD_ACDS_33

ID 267

Fc1ccc(CNCC(c2c[nH]c3cc(Br)ccc23)c2c[nH]c3cc(Br)ccc23)cc1

Formula: C25H20Br2FN3

MW: 541.26 | LogP: 7.24

TPSA: 43.61

Patterns:

Indole

Detail

Select ID 271 DB fairmol

ulfkktlib_690

ID 271

O=C(N[C@@H]1C(=O)N/[N+](=C\c2ccccc2)[C@H]1c1c[nH]c2ccccc12)c1ccccc1

Formula: C25H21N4O2+

MW: 409.47 | LogP: 3.18

TPSA: 77.00

Patterns:

Indole

Detail

Select ID 302 DB fairmol

KB_chagas_184

ID 302

COc1ccc(S(=O)(=O)Nc2ccccc2OC)cc1NC(=O)CCCc1c[nH]c2ccccc12

Formula: C26H27N3O5S

MW: 493.59 | LogP: 4.95

TPSA: 109.52

Patterns:

Indole

Detail

Select ID 328 DB fairmol

Z45452525

ID 328

CN(C)c1ccc([C@H](CNS(=O)(=O)c2ccc(F)c(F)c2)c2c[nH]c3ccccc23)cc1

Formula: C24H23F2N3O2S

MW: 455.53 | LogP: 4.62

TPSA: 65.20

Patterns:

Indole

Detail

Select ID 329 DB fairmol

OHD_Leishmania_439

ID 329

COC(=O)c1c(C)[nH+]cn1CC(c1c[nH]c2ccc(C)cc12)c1c[nH]c2ccc(C)cc12

Formula: C26H27N4O2+

MW: 427.53 | LogP: 4.81

TPSA: 76.95

Patterns:

Indole

Detail

Select ID 330 DB fairmol

OHD_ACDS_35

ID 330

O=[N+](O)c1ccc(C[NH2+]CC(c2c[nH]c3cc(Br)ccc23)c2c[nH]c3cc(Br)ccc23)cc1

Formula: C25H22Br2N4O2+2

MW: 570.29 | LogP: 5.87

TPSA: 88.50

Patterns:

Indole

Detail

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