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SdssCE index

SaaCHE index

SsssCHE index

T_T_T_0

T_T_T_1

T_T_T_7

T2O4

T2O5

T2S3

__ _

__ _

__ _

-0.777802

22.800776

0.016608

33

35

38

5

5

0

0.528201 0.716561 -0.784025 -0.783101 -0.782655 -0.782281 -0.777394 -0.776791

12.383413 12.445273 17.4986 19.770987 19.741284 19.743587 16.699043 16.509719

0.028399 0.038362 -0.030439 -0.026967 -0.019597 -0.014814 0.011038 0.021001

32 32 31 32 32 32 31 31

34 34 33 34 34 34 33 33

33 33 30 33 33 33 30 30

6 6 7 6 6 6 6 5

6 6 7 6 6 6 6 5

2 3 0 0 0 0 1 2

-0.787931 -0.781538 -0.839849 -0.828856 -0.77919 -0.77602

15.041408 19.830979 15.44125 18.009441 22.56846 19.89915

-0.058217 -0.013401 -0.323948 -0.296589 0.000811 -0.02739

31 31 34 35 32 33

33 33 36 37 34 35

30 30 39 42 33 36

7 6 6 6 6 6

7 6 6 6 8 8

0 0 0 0 0 0

-0.78726

14.96514

-0.04716

31

33

30

8

9

0

Comp.

Polarizability

Polarizability

chi1

1-path

chi3cluster

kappa3

Hydrogen

SaaCH

SdssC

AHC

AHP

count

count

count

count

T_2_T_7

T227

T_T_C_7

TTN7

T T S3

TOS4

TCO2

TCS2

TCS3

___

__ _

___

_ __

__ _

_ __

_ __

1mol2

51.841933

51.936

15.939892

35

2.044998

9.520661

34

11

1

8 mol2

45.062825

48.362

15.456729

34

1.976957

8.628099

31

6

2

9 mol2

45.062825

48.362

15.456729

34

1.976957

8.628099

31

6

2

10 mol2

46.838624

46.897

14.956729

33

1.976957

8.065844

30

9

1

11 mol2

49.105921

49.392

15.456729

34

1.976957

8.628099

31

10

1

12 mol2

49.105921

49.392

15.456729

34

1.976957

8.628099

31

10

1

13 mol2

49.105921

49.392

15.456729

34

1.976957

8.628099

31

10

1

14 mol2

47.684271

48.674

14.956729

33

1.976957

8.065844

29

8

1

15 mol2

47.684271

48.674

14.956729

33

1.976957

8.065844

29

8

1

17 mol2

45.885679

46.248

14.956729

33

1.976957

8.065844

29

8

1

18mol2

47.304559

47.65

14.918724

33

2.061508

8.373087

26

10

1

19 mol2

46.642874

47.284

16.130049

36

1.91717

9.119219

26

10

1

21 mol2

49.315506

49.828

16.668054

37

1.848135

9.356625

29

11

1

7mol2

50.00065

50.101

15.45673

34

1.976957

8.628099

32

11

1

20mol2

50.94605

51.227

15.99473

35

1.907921

8.864266

33

10

1

16mol2

45.88568

46.248

14.95673

33

1.976957

8.065844

29

8

1

40

9

67

0

0

0

9

0

0

33

6

55

0

2

0

9

2

2

33

6

57

0

3

1

9

3

3

28

5

51

0

0

0

12

0

0

33

6

57

1

0

0

9

0

0

33

6

55

3

0

0

9

0

0

33

6

55

3

0

0

9

0

0

26

5

48

1

1

0

9

1

1

28

5

50

1

2

1

9

2

2

28

5

50

1

0

0

11

0

0

31

6

48

1

0

0

9

0

0

37

6

60

1

0

0

9

0

0

38

6

65

0

0

0

9

0

0

33

6

58

0

0

0

9

0

0

34

6

61

1

0

0

9

0

0

26

5

48

1

0

0

10

0

0

Mukesh Chandra Sharma et al /Int.J. PharmTech Res.2010,2(2)

Table 2- Calculated descriptors for 2D QSAR

1380

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