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DocumentationIdentifier: MM360038
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM360038 |
| SMILES |
C#CC#CC(=O)C#CCO
|
| InChIKey |
UKIVWWOISAWYDJ-UHFFFAOYSA-N
|
| MW [Da] |
132.12
Automatically obtained from RDkit software. |
| LogP |
-0.81
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM158744
Similarity: 0.8108
Similarity to MM158744
| Tanimoto metric | 0.8108 |
|---|---|
| Cosine metric | 0.9005 |
| Dice metric | 0.8955 |
| MW: | 122.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.43 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM369482
Similarity: 0.7412
Similarity to MM369482
| Tanimoto metric | 0.7412 |
|---|---|
| Cosine metric | 0.8514 |
| Dice metric | 0.8514 |
| MW: | 132.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM37302
Similarity: 0.7297
Similarity to MM37302
| Tanimoto metric | 0.7297 |
|---|---|
| Cosine metric | 0.8542 |
| Dice metric | 0.8438 |
| MW: | 108.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+110 more
