Molecule Number CID Polar surface area Number of atoms Rotatable bonds Volume (Angstroms)
1. 65036 17.071 9.0 5 145.506
2. 87310 80.393 11.0 5 154.764
3. 5386591 17.071 13.0 8 207.853
4. 108058 118.36 39.0 8 488.958
5. 370 97.983 12.0 1 135.098
6. 65084 130.602 22.0 1 252.159
7. 5281764 208.12 34.0 11 385.951
8. 53398694 161.587 22.0 7 251.14
9. 442793 66.761 21.0 10 295.61
10. 5281794 46.533 20.0 9 281.379
11. 1309 66.479 28.0 3 333.361
12. 2353 40.821 25.0 2 296.302
13. 99474 38.696 30.0 0 419.383
14. 305 20.228 7.0 2 120.158
15. 5280951 34.153 16.0 1 201.15
16. 5280953 37.917 16.0 1 194.963
17. 92097 20.228 31.0 0 460.699
18. 5281792 144.516 26.0 7 303.539
19. 10364 20.228 11.0 1 158.572
20. 5281515 0.0 15.0 0 229.95
21. 12575 66.761 12.0 2 144.608
Table 3: Molecular properties of 21 natural compounds calculated by Molinspiration with Chemical identifier for molecular structures in Pubchem.
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