An In Silico Approach towards the Prediction of Druglikeness Properties of Inhibitors of Plasminogen Activator Inhibitor1

Table 2

Toxicity prediction of the inhibitors of PAI1.

Ligand molecule	Obey Lipinski’s rule?	Cramer’s rule	Carcinogen	Eye irritation
Troglitazone	Yes	Class III	No	No
Dimethyl sulfoxide	Yes	Class III	No	No
Atorvastatin	No	Class III	No	No
Simvastatin	Yes	Class III	No	No
Citalopram	Yes	Class III	No	No
Fluoxetine	Yes	Class III	No	No
2,5,Dihydroxy-3-undecyciohexa-2,5-diene-1,4,dione	No	Class III	No	No
1,2-Ethanediol	Yes	Class I	No	Yes
Beta-D-mannose	Yes	Class I	No	No
Alpha-L-fucose	Yes	Class I	No	No
N-Acetyl-D-glucosamine	Yes	Class I	No	No
2-(Acetylamino)-2-deoxy-A-D- glucopyranose	Yes	Class I	No	No
Ribose	Yes	Class I	No	No
Acetic acid	Yes	Class III	No	No
Amitriptyline hydroxychloride	No	Class III	No	No
Amoxapine	Yes	Class III	No	No
Clomipramine hydrochloride	Yes	Class III	No	No
Desipramine hydrochloride	Yes	Class III	No	No