CPD

2

4

7

8

10

17

HBD

0

0

1

0

0

0

HBA

7

5

6

7

6

6

CLogP

1.803

1.162

2.933

0.964

1.514

3.559

V

0

0

0

0

0

0

Vol.

185

176.25

181.875

201

195.875

196.25

TPSA

52.82

106.53

57.53

124.35

95.53

72.55

%ABS

90.7771

72.24715

89.15215

66.09925

76.04215

83.97025

Log S

−3.69206

−2.42823

−5.17052

−3.32469

−3.07276

−5.45284

HOMO

−9.46936

−8.95061

−9.14457

−9.95624

−9.57443

−8.68336

LUMO

−1.61311

−0.77546

−0.77307

−1.1573

−0.92765

−1.25907

mr

7.856251

8.17515

8.3715

8.79894

8.646781

7.42429

∆E

3.928125

4.087575

4.18575

4.39947

4.32339

3.712145

η

0.254574

0.244644

0.238906

0.2273

0.2313

0.269386

S

−5.54124

−4.86304

−4.95882

−5.55677

−5.25104

−4.97122

χ

5.541235

4.863035

4.95882

5.55677

5.25104

4.971215

σ

3.90839

2.892804

2.937335

3.509251

3.188866

3.328666

ω

−9.46936

−8.95061

−9.14457

−9.95624

−9.57443

−8.68336