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Regex Pattern / motif 162 results

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162 results for Pattern / motif query

Cards

Pattern / motif 162 results DB fairmol

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Query interpretation

Pattern registry Vnos: cyclopentane Cyclopentane

Select ID 35 DB fairmol

TC165

ID 35

COc1ccc(C#CC(=O)[C@H]2CC[C@@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)c(C)c1

Formula: C30H38O3

MW: 446.63 | LogP: 5.86

TPSA: 46.53

Patterns:

Cyclopentane

Detail

Select ID 38 DB fairmol

TC94

ID 38

COc1ccc(C#C[C@H](O)[C@@H]2CC[C@@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)cc1

Formula: C29H40O3

MW: 436.64 | LogP: 5.43

TPSA: 49.69

Patterns:

Cyclopentane

Detail

Select ID 49 DB fairmol

TC164

ID 49

Cc1cc(C)c(C#CC(=O)[C@H]2CC[C@@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)cc1C

Formula: C31H40O2

MW: 444.66 | LogP: 6.47

TPSA: 37.30

Patterns:

Cyclopentane

Detail

Select ID 117 DB fairmol

TC71

ID 117

C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OS(=O)(=O)O)CC[C@@]43C)[C@H]1CC[C@@H]2C(=O)C#Cc1ccccc1

Formula: C28H34O5S

MW: 482.64 | LogP: 5.37

TPSA: 80.67

Patterns:

Cyclopentane

Detail

Select ID 127 DB fairmol

OHD_TB2019_4

ID 127

O=C1Nc2cc(Br)ccc2/C1=C1/Nc2ccccc2/C1=N\OCC[NH+]1CCN(C2CCCC2)CC1

Formula: C27H31BrN5O2+

MW: 537.48 | LogP: 3.10

TPSA: 70.40

Patterns:

Cyclopentane

Detail

Select ID 163 DB fairmol

OHD_TbNat_97

ID 163

C=C(C)[C@@H]1CC[C@]2(C(=O)O)CC[C@]3(C)[C@@H](CC[C@H]4[C@@]5(C)C[C@@H](O)[C@H](OC(=O)/C=C/c6ccc(O)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12

Formula: C39H54O6

MW: 618.85 | LogP: 8.03

TPSA: 104.06

Patterns:

Cyclopentane

Detail

Select ID 165 DB fairmol

KB_HAT_6

ID 165

COc1ccc([C@H]2CC(c3ccccc3Cl)=NN2C(=O)CNC(=O)C2CCCC2)cc1

Formula: C24H26ClN3O3

MW: 439.94 | LogP: 4.33

TPSA: 71.00

Patterns:

Cyclopentane

Detail

Select ID 172 DB fairmol

Z57780858

ID 172

[H]/N=c1/c(C(=O)NC2CCCC2)cc2c(=O)n3cccc(C)c3nc2n1CCc1ccccc1

Formula: C26H27N5O2

MW: 441.54 | LogP: 3.35

TPSA: 92.25

Patterns:

Cyclopentane

Detail

Select ID 178 DB fairmol

TC72

ID 178

C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OS(=O)(=O)O)CC[C@@]43C)[C@H]1CC[C@@H]2C(=O)C#CCc1ccccc1

Formula: C29H36O5S

MW: 496.67 | LogP: 5.57

TPSA: 80.67

Patterns:

Cyclopentane

Detail

Select ID 199 DB fairmol

Z44617742

ID 199

Nc1c(N(C(=O)Nc2ccc(Cl)c(Cl)c2)C2CCCC2)c(O)nc(=O)n1Cc1ccccc1

Formula: C23H23Cl2N5O3

MW: 488.38 | LogP: 4.87

TPSA: 113.48

Patterns:

Cyclopentane

Detail

Select ID 326 DB fairmol

NMT-TY0616

ID 326

CC(=O)Nc1ccc(S(=O)(=O)Nc2c(N)nc(SC3CCCC3)[nH]c2=O)cc1

Formula: C17H21N5O4S2

MW: 423.52 | LogP: 2.15

TPSA: 147.04

Patterns:

Cyclopentane

Detail

Select ID 382 DB fairmol

OHD_Leishmania_329

ID 382

CC1=C(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(=O)O[C@@H]([C@@H](C)[C@H]2CC[C@@H]3[C@@H]4C[C@H]5O[C@]56[C@@H](O)C=CC(=O)[C@]6(C)[C@H]4CC[C@]23C)C1

Formula: C44H56O6Si

MW: 709.01 | LogP: 6.94

TPSA: 85.36

Patterns:

Cyclopentane

Detail

Select ID 428 DB fairmol

OHD_Leishmania_393

ID 428

C=C(C)[C@@H]1CC[C@]2(/C=N/O)CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CC/C(=N\O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12

Formula: C30H48N2O2

MW: 468.73 | LogP: 7.93

TPSA: 65.18

Patterns:

Cyclopentane

Detail

Select ID 437 DB fairmol

OHD_TC2_88

ID 437

C[C@H]([NH2+]Cc1cn(Cc2ccccc2)nn1)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C

Formula: C31H45N4O+

MW: 489.73 | LogP: 4.72

TPSA: 67.55

Patterns:

Cyclopentane

Detail

Select ID 481 DB fairmol

TC89

ID 481

C[C@]12CC[C@H](O)CC1=CC[C@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(O)c1cn(CCCCO)nn1

Formula: C25H39N3O3

MW: 429.61 | LogP: 3.56

TPSA: 91.40

Patterns:

Cyclopentane

Detail

Select ID 524 DB fairmol

NMT-TY0622

ID 524

[H]/N=c1/[nH]c(SC2CCCC2)nc(O)c1NS(=O)(=O)c1ccc(N)cc1

Formula: C15H19N5O3S2

MW: 381.48 | LogP: 2.01

TPSA: 144.95

Patterns:

Cyclopentane

Detail

Select ID 591 DB fairmol

OHD_Leishmania_45

ID 591

CC(=O)O[C@H]1[C@@H](O[C@H]2[C@@H]3C=CO[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@@H]4O)[C@@H]3[C@@]3(CO)O[C@@H]23)O[C@H](C)[C@H](OC(=O)/C=C\c2ccccc2)[C@H]1OC(=O)/C=C\c1ccccc1

Formula: C41H46O17

MW: 810.80 | LogP: 0.36

TPSA: 238.73

Patterns:

Cyclopentane

Detail

Select ID 842 DB fairmol

Z28978240

ID 842

O=C(CN1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C=C[C@@H]2C1)Nc1n[nH]c(SCc2ccc(Cl)cc2)n1

Formula: C20H18ClN5O3S

MW: 443.92 | LogP: 2.50

TPSA: 108.05

Patterns:

Cyclopentane

Detail

Select ID 863 DB fairmol

TC258

ID 863

C[C@]12CC[C@H](O)CC1=C/C(=N/OCC(=O)O)[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]21O[C@@H]1CO

Formula: C23H33NO6

MW: 419.52 | LogP: 2.51

TPSA: 111.88

Patterns:

Cyclopentane

Detail

Select ID 1010 DB fairmol

TC228

ID 1010

C[C@]12CC[C@H](O)CC1=C/C(=N/OCCCCn1cc(CNC(=O)CCCC[C@@H]3SC[C@H]4NC(=O)N[C@@H]34)nn1)[C@H]1[C@H]3CCC(=O)[C@@]3(C)CC[C@@H]12

Formula: C36H53N7O5S

MW: 695.93 | LogP: 4.28

TPSA: 159.83

Patterns:

Cyclopentane

Detail

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