Table 1.
Number of molecules that could theoretically be built given different parameter combinations.
9 Layersa | 7 Layers | 5 Layers | ||||||||
---|---|---|---|---|---|---|---|---|---|---|
#RBb | #Molc | 7 APd | 5 APd | 3 APd | 7 AP | 5 AP | 3 AP | 7 AP | 5 AP | 3 AP |
5 | 105 | 105 | 105 | 98 | 105 | 105 | 98 | 105 | 105 | 98 |
6 | 89 | 89 | 89 | 83 | 89 | 89 | 83 | 86 | 86 | 80 |
7 | 99 | 99 | 99 | 95 | 99 | 99 | 95 | 87 | 87 | 83 |
8 | 71 | 71 | 71 | 69 | 69 | 69 | 67 | 53 | 53 | 51 |
9 | 58 | 58 | 58 | 52 | 54 | 54 | 48 | 46 | 46 | 39 |
10 | 70 | 68 | 68 | 41 | 65 | 65 | 36 | 47 | 47 | 17 |
11 | 47 | 44 | 44 | 31 | 39 | 39 | 26 | 21 | 21 | 8 |
12 | 37 | 35 | 35 | 27 | 32 | 32 | 21 | 12 | 12 | 4 |
13 | 37 | 33 | 33 | 27 | 21 | 21 | 13 | 7 | 7 | 0 |
14 | 25 | 24 | 24 | 16 | 20 | 20 | 10 | 7 | 4 | 0 |
15 | 25 | 22 | 21 | 12 | 13 | 12 | 1 | 2 | 1 | 0 |
|
||||||||||
sum | 663 | 648 | 647 | 551 | 606 | 605 | 498 | 473 | 469 | 380 |
Number of molecules theoretically possible for a given number of layers of growth.
Number of rotatable bonds.
Number of molecules in the set.
Number of allowable attachment points per layer.