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DocumentationIdentifier: MM240242
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM240242 |
| SMILES |
C#CC(C)(O)CCC#CC
|
| InChIKey |
SVZYKAPLZQNOCP-UHFFFAOYSA-N
|
| MW [Da] |
136.19
Automatically obtained from RDkit software. |
| LogP |
1.17
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM138538
Similarity: 0.837
Similarity to MM138538
| Tanimoto metric | 0.837 |
|---|---|
| Cosine metric | 0.9149 |
| Dice metric | 0.9112 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM234187
Similarity: 0.7982
Similarity to MM234187
| Tanimoto metric | 0.7982 |
|---|---|
| Cosine metric | 0.8894 |
| Dice metric | 0.8878 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM309804
Similarity: 0.7333
Similarity to MM309804
| Tanimoto metric | 0.7333 |
|---|---|
| Cosine metric | 0.8462 |
| Dice metric | 0.8462 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.4 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+566 more
