Code of the selected molecules

QPlogS

QPPCaco

Rule Of

Three

QPlog

BB

QPlogKhsa

Mol

MW

PSA

Percent Human Oral Absorption

QPPMDCK

QPlogPo/w

PV-002089512142

−3.743

127.570

0

−1.607

−0.512

384.434

116.049

73.876

131.752

1.578

PV-002342843731

−5.818

632.259

2

−1.277

0.162

423.514

97.196

100.000

389.581

3.676

PV-001894667629

−5.032

475.852

0

−0.870

0.182

364.335

101.092

91.631

320.696

2.863

Z1683225090

−6.298

599.087

1

−1.209

0.393

423.904

84.584

100.000

503.773

4.356

Z1890693512

−4.671

360.507

0

−0.875

−0.073

338.297

99.722

84.507

252.848

2.015

PV-002558797812

−5.331

32.887

0

−2.099

−0.163

481.449

146.586

67.314

104.958

2.257

PV-000250468827

−6.194

977.227

1

−0.771

0.282

396.488

88.471

100.000

706.900

3.685

Z1684534882

−5.759

1004.855

1

−0.768

0.157

419.414

84.093

100.000

749.829

3.820

PV-000185178177

−5.673

268.889

0

−0.489

0.921

395.547

78.514

95.759

132.332

4.326

PV-001434258746

−3.815

444.498

0

−1.001

−0.296

380.421

88.439

89.521

515.655

2.593

Z1694049401

−2.990

20.953

1

−2.242

−0.871

376.432

145.013

50.775

34.479

0.031

Z2150792351

−5.520

366.131

0

−1.332

0.150

439.528

102.345

92.663

251.897

3.387

PV-002427431755

−5.487

466.498

0

−0.957

−0.015

420.393

95.953

94.649

1215.369

3.405

PV-002201035475

−4.660

1052.444

0

−0.303

0.246

454.930

87.020

100.000

1191.194

3.431

PV-002215946839

−6.588

1082.971

2

−0.597

0.520

423.529

73.381

100.000

1652.810

4.619

PV-002569833477

−6.109

349.388

2

−0.148

0.506

480.993

79.077

100.000

652.994

4.455

PV-002109864487

−5.250

176.381

0

−1.594

0.264

416.534

96.093

86.557

133.007

3.314

PV-001946374534

−4.286

426.432

0

−0.615

0.227

454.955

83.148

95.352

1049.505

3.644

PV-002493365265

−5.784

2568.446

1

−0.171

0.292

430.862

70.439

100.000

5469.819

4.363

PV-002273233325

−2.495

464.206

1

0.123

0.173

460.575

63.279

93.601

386.392

3.232

Z1683786797

−5.158

743.832

0

0.208

0.306

427.886

65.549

100.000

981.167

4.079

Z2700704516

−7.200

1442.726

1

−0.480

0.815

387.480

67.018

100.000

735.206

4.718

Z1683053210

−5.516

1289.640

0

−0.484

0.160

417.463

82.780

100.000

651.259

3.429