
| For a structure containing ring systems, do you want to block additional ring fusion? (including spiro attachments and bridging) |
yes![]() |
Highlight one node in the ring. QUERY DEF, RING ISOLATION. Select "Isolated". |
| For a structure containing atoms in a chain, do you want to allow these atoms to also be part of a ring? |
yes![]() |
Highlight the atom(s). QUERY DEF, NODE CHARACTERISTICS. Select "Ring/Chain". |
| For a structure containing chain bonds, do you want to allow any of these bonds to also be part of a ring? |
yes![]() |
Highlight the bond(s). QUERY DEF, BOND CHARACTERISTICS. Select "Ring/Chain". |
| Do you want to allow bonds to have any value? |
yes![]() |
DRAW, BOND. Select "Unspecified". |
| Do you want to allow bonds to be either present or absent? |
yes![]() |
Leave the bond out of the structure. Add node characteristics of ring/chain. |
| Do you want to block substitution at all positions in your structure? |
yes![]() |
Run an EXACT or FAMILY structure search. |
| Do you want to block substitution at some positions in your structure? |
yes![]() |
Add hydrogens at appropriate positions. |
| Do you want to force substitution at a position in your structure? |
yes![]() |
DRAW, VARIABLES.
|
| Do you want to force substitution at a position in your structure AND define the substitution options? |
yes![]() |
DRAW, G-GROUP. |