Table 3 The calculated physico-chemical property of the synthesized compounds 7a–o for predicting drug-likeness based on Lipinski-rule of five.

From: Arylmethylene hydrazine derivatives containing 1,3-dimethylbarbituric moiety as novel urease inhibitors

Compound

MWa

HBDb

HBAc

LogP o/wd

ROF violationsf

Qikpro

SwissADME (iLog P)

7a

286.290

5

1

2.297

2.56

0

7b

302.289

2

5

1.373

1.72

0

7c

318.288

3

6

1.018

1.37

0

7d

376.368

1

7

2.354

3.02

0

7e

378.387

1

5

3.655

2.86

0

7f

320.735

1

4

2.627

2.55

0

7g

365.186

1

4

2.694

2.73

0

7h

331.287

1

6

1.412

1.6

0

7i

331.287

1

6

1.357

2.07

0

7j

355.180

1

4

2.993

2.49

0

7k

365.732

1

6

1.802

1.71

0

7l

365.732

1

6

1.916

1.90

0

7m

292.312

1

4

2.010

1.76

0

7n

326.757

1

4

2.522

2.4

0

7o

336.349

1

4

3.055

2.54

0

Hydroxyurea

76.06

3

2

− 0.2

− 0.16

0

  1. aMolecular weights (acceptable value ≤ 500).
  2. bNumber of average Hydrogen Bond Donor (acceptable value ≤ 5).
  3. cNumber of average Hydrogen Bond Acceptor (acceptable value ≤ 10).
  4. dPredicted octanol/water partition co-efficient (acceptable value ≤ 5).
  5. eNumber of violations of Lipinski’s rule of five (maximum 4).
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