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DocumentationIdentifier: MM383624
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM383624 |
| SMILES |
N#CC(=CCO)C(O)C#N
|
| InChIKey |
HSZCYGPUFPBRTM-UHFFFAOYSA-N
|
| MW [Da] |
138.13
Automatically obtained from RDkit software. |
| LogP |
-0.69
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM53754
Similarity: 0.7985
Similarity to MM53754
| Tanimoto metric | 0.7985 |
|---|---|
| Cosine metric | 0.8936 |
| Dice metric | 0.888 |
| MW: | 122.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM86513
Similarity: 0.74
Similarity to MM86513
| Tanimoto metric | 0.74 |
|---|---|
| Cosine metric | 0.8509 |
| Dice metric | 0.8506 |
| MW: | 133.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM383724
Similarity: 0.6485
Similarity to MM383724
| Tanimoto metric | 0.6485 |
|---|---|
| Cosine metric | 0.7868 |
| Dice metric | 0.7868 |
| MW: | 134.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+115 more
