136144

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6

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2.0363

2.3429

0.5805

2.3454

-0.389

1.0095

-1.8621

-0.0632

-2.434

-1.4719

-2.0945

2.3655

2.6573

3.3617

1.7105

0.5475

0.2511

3.0479

2.7601

-0.1643

-0.2441

0.6613

1.1934

-2.4429

-2.0299

0.1854

-0.0635

-2.157

-3.5279

-1.4474

-2.1293

-3.0339

-1.4747

-1.4557

-0.2599

-1.6639

1.1296

-1.9224

1.6906

-1.7391

1.8057

-0.3496

2.0092

0.7555

-2.3656

-1.3803

-0.4175

-0.2697

-2.5357

-0.8332

1.1196

1.8389

-1.31

-2.9625

1.1147

2.6967

-2.4633

-1.9933

2.6677

0.94

-0.0632

-0.4493

2.8115

2.3579

1.0695

0.3848

0.2747

-0.6382

0.7019

0.0161

-0.4528

0.5095

-0.0612

-0.5771

-0.3871

-0.0094

0.6236

-0.2439

1.176

-1.0195

-1.5294

1.3693

1.3181

0.859

-0.7123

-1.3286

-0.7737

1.3667

0.9099

-0.6478

0.9918

-1.2093

-1.2399

-1.4081

-0.4015

0.7384

-0.8158

1.0983

1.4423

Conformer

ID

11

2.1

PubChem

ncbi.nlm.nih.gov

2009.12.11

000213D000000001

Energy

MMFF94 NoEstat

7

1.6.0

Szybki

openeye.com

2012.01.18

16.9908

Feature

Self Overlap

7

2.1

PubChem

ncbi.nlm.nih.gov

2012.01.18

0

Fingerprint

Shape

2

2.1

PubChem

ncbi.nlm.nih.gov

2012.11.26

14251711 518 18339635758386138935

14251717 144 17690834567611968901

14251745 187 18126287673737457816

15775835 57 18337964393384845896

16945 1 18411419526825827648

18185500 45 18266456692663011031

20201158 50 18050561043271849167

22802520 49 18198926810468223230

23552423 10 18263927820351393069

241688 4 18337954605149077817

2748010 2 18266457809349285239

2897 32 18336829787537089852

63268167 104 18409729581712083946

66348 1 18410574006700192639

Shape

Multipoles

8

1.8.1

OEShape

openeye.com

2012.01.18

226.37

3.58

2.78

0.83

0.19

0.05

0.01

-0.07

-0.13

-0.25

0.04

0.03

-0.01

-0.18

Shape

Self Overlap

7

2.1

PubChem

ncbi.nlm.nih.gov

2012.01.18

416.676

Shape

Volume

7

1.8.1

OEShape

openeye.com

2012.01.18

140.9

Conformer

RMSD

7

2009.12.11

0.6

Diverse Conformer

ID List

6

2010.05.05

1

2

3

Charge

MMFF94 Partial

2

1.7.6

OEChem

openeye.com

2012.05.21

0

Count

Effective Rotor

7

1.7.6

OEChem

ncbi.nlm.nih.gov

2012.01.18

2.2

Features

Pharmacophore

2

ImplicitMillsDean merged

1.8.1

OEShape

openeye.com

2012.05.21

0

11

0

0

0

0

0

0

0

1

1