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DocumentationIdentifier: MM330846
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM330846 |
| SMILES |
C#CC(=O)OC(C#C)C#C
|
| InChIKey |
YFKYDSNRISINSF-UHFFFAOYSA-N
|
| MW [Da] |
132.12
Automatically obtained from RDkit software. |
| LogP |
-0.2
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM142516
Similarity: 0.8913
Similarity to MM142516
| Tanimoto metric | 0.8913 |
|---|---|
| Cosine metric | 0.9441 |
| Dice metric | 0.9425 |
| MW: | 122.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM150208
Similarity: 0.8261
Similarity to MM150208
| Tanimoto metric | 0.8261 |
|---|---|
| Cosine metric | 0.9089 |
| Dice metric | 0.9048 |
| MW: | 122.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM264827
Similarity: 0.7387
Similarity to MM264827
| Tanimoto metric | 0.7387 |
|---|---|
| Cosine metric | 0.8507 |
| Dice metric | 0.8497 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+266 more
