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DocumentationIdentifier: MM58345
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM58345 |
| SMILES |
CC(=O)CC(C)(C#N)C#N
|
| InChIKey |
JUEZIAHLQHBNBN-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
1.02
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM150118
Similarity: 0.75
Similarity to MM150118
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 122.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM226950
Similarity: 0.6981
Similarity to MM226950
| Tanimoto metric | 0.6981 |
|---|---|
| Cosine metric | 0.8224 |
| Dice metric | 0.8222 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM15718
Similarity: 0.6818
Similarity to MM15718
| Tanimoto metric | 0.6818 |
|---|---|
| Cosine metric | 0.8257 |
| Dice metric | 0.8108 |
| MW: | 122.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+149 more
