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DocumentationIdentifier: MM319923
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM319923 |
| SMILES |
C#CC(=C)COC(=O)CC
|
| InChIKey |
ZAMHZWGGSAZTLT-UHFFFAOYSA-N
|
| MW [Da] |
138.17
Automatically obtained from RDkit software. |
| LogP |
1.13
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM145209
Similarity: 0.8198
Similarity to MM145209
| Tanimoto metric | 0.8198 |
|---|---|
| Cosine metric | 0.9054 |
| Dice metric | 0.901 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM251391
Similarity: 0.8
Similarity to MM251391
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8892 |
| Dice metric | 0.8889 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM320103
Similarity: 0.754
Similarity to MM320103
| Tanimoto metric | 0.754 |
|---|---|
| Cosine metric | 0.8597 |
| Dice metric | 0.8597 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+158 more
