Rings are calculated using MIB by molinspiration.com. We calculate Bemis-Murcko Scaffolds (argument: -scaffold). For each BM Scaffold, we enumerate ring systems (argument: -ringSystems). For each ring system, we enumerate simple rings (argument: -simpleRings). We have to fudge a bit on simple rings that break aromaticity, tautomers and so on. We hope that this ring-based view of purchasable chemical space will be useful notwithstanding a few problems. Like all of ZINC, you must agree to use it at your own risk.
NB as of March 13, 2012, only about 10% of the molecules in ZINC have been processed for rings. We expect to have 95% coverage by April 1, 2012.
| Image | Name | Simple | Sys. | # | C | N | O | S | Zinc IDs | Buy? | Nat. | Anno. | BB | Man |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
|
1,4-diazabicyclo[2.2.0]hexane | 2 | 1 | 6 | 4 | 2 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 |
|
2-thiabicyclo[3.1.0]hex-3-ene | 2 | 1 | 6 | 5 | 0 | 0 | 1 | 2 | 0 | 2 | 0 | 0 | 0 |
|
3-azabicyclo[3.1.0]hexane | 2 | 1 | 6 | 5 | 1 | 0 | 0 | 124 | 1 | 68 | 20 | 14 | 1 |
|
4-azabicyclo[3.1.0]hexane | 2 | 1 | 6 | 5 | 1 | 0 | 0 | 7 | 0 | 4 | 0 | 4 | 0 |
|
6-azabicyclo[3.1.0]hexa-1,3,5-tr… | 2 | 1 | 6 | 5 | 1 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 |
|
6-oxabicyclo[3.1.0]hexane | 2 | 1 | 6 | 5 | 0 | 1 | 0 | 2 | 0 | 1 | 0 | 0 | 0 |
|
Bicyclo[2.2.0]hexa-1(6),2,4-triene | 2 | 1 | 6 | 6 | 0 | 0 | 0 | 2 | 0 | 0 | 0 | 0 | 0 |
|
Bicyclo[2.2.0]hexa-2,5-diene | 2 | 1 | 6 | 6 | 0 | 0 | 0 | 1 | 1 | 1 | 0 | 0 | 0 |
|
Bicyclo[3.1.0]hex-2-ene | 2 | 1 | 6 | 6 | 0 | 0 | 0 | 5 | 2 | 2 | 0 | 0 | 0 |
|
Bicyclo[3.1.0]hexa-1,3,5-triene | 2 | 1 | 6 | 6 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 |
|
Bicyclo[3.1.0]hexane | 2 | 1 | 6 | 6 | 0 | 0 | 0 | 27 | 7 | 1 | 9 | 0 | 0 |
|
Spiro[2.3]hexane | 2 | 1 | 6 | 6 | 0 | 0 | 0 | 19 | 0 | 14 | 1 | 0 | 0 |
|
1,4-diazabicyclo[3.2.0]hepta-2,4… | 2 | 1 | 7 | 5 | 2 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 |
|
1-azabicyclo[3.1.0]hexan-6-one | 2 | 1 | 7 | 5 | 1 | 1 | 0 | 4 | 0 | 0 | 0 | 0 | 0 |
|
3,6-diazabicyclo[2.2.1]heptane | 2 | 1 | 7 | 5 | 2 | 0 | 0 | 50 | 0 | 1 | 43 | 0 | 0 |