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. 2016 Jan 12;21(1):75. doi: 10.3390/molecules21010075

Table 5.

The percentages of drugs containing different categories of functional groups in the whole database and five sub-databases.

Functional Groups All Drugs Oral Drug CNS Drugs Cardiovascular Drugs Anti-Infective Drugs Anti-Cancer Drugs
1 a 2 a >2 a 1 a 2 a >2 a 1 a 2 a >2 a 1 a 2 a >2 a 1 a 2 a >2 a 1 a 2 a >2 a
-F 5.4 1.6 0.4 6.8 2.1 0.4 9.2 2.0 0 2.9 1.2 0.2 6.4 2.0 1.2 6.6 1.6 0.2
-CF3 2.5 0.2 0.1 2.8 0.4 0 3.9 0.4 0.1 2.3 0.1 0.2 0.9 0.1 0 1.8 0 0
-CN 2.4 0.2 0 2.1 0.5 0 2.0 0 0 3.8 0.3 0 2.0 0.3 0 1.1 0.5 0
-NO2 2.0 0.1 0 3.3 0.1 0 1.5 0 0 2.5 0 0 5.1 0.8 0 2.0 0.5 0
-NH2 9.3 1.1 0.5 11.1 1.2 0 6.8 0.5 0 7.1 0.3 0 23.2 2.7 2.5 17.6 3.2 0.5
-OH 20.0 7.2 6.1 19.1 6.2 6.5 14.0 2.9 1.2 24.1 6.2 4.8 19.0 7.2 13.3 14.3 11.3 15.8
-SH 0.3 0 0 0.5 0.1 0 0.1 0 0 0.5 0 0 0 0 0 0.2 0 0
-CHO 0.7 0 0 0.7 0 0 0.2 0 0 0.4 0 0.1 1.9 0 0 0.7 0 0
-COOH 12.9 1.7 0.3 16.8 1.0 0.1 3.6 0.6 0.2 12.3 2.2 0 26.9 2.5 0.1 7.7 2.7 0.9
-CONHOH 0.2 0 0 0.4 0 0 0.1 0 0 0.1 0 0 0 0.1 0 1.1 0 0
-COOR 16.1 3.6 1.0 14.1 4.5 0.8 9.4 1.3 0.2 14.7 7.6 2.0 13.6 3.5 1.3 13.1 3.8 4.8
-CONH2 3.5 0.1 0.1 4.5 0.1 0 5.5 0.4 0 3.0 0.2 0 5.2 0 0 3.4 0 0
-SO3H 0.7 0.2 0 0.3 0.2 0 0.2 0.3 0 0.3 0 0 1.2 0.3 0.1 0.2 0 0
-SO2NH2 1.3 0.1 0 2.6 0.1 0 0.7 0 0 0.7 0 0 0.9 0.1 0 0.7 0 0

a “1, 2, 3, > 3” in row represent the number of functional groups.