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DocumentationIdentifier: MM293665
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM293665 |
| SMILES |
C#CCC(=O)C(C)OC=O
|
| InChIKey |
SWJROJZGZJNOTM-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP |
0.14
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM172575
Similarity: 0.7619
Similarity to MM172575
| Tanimoto metric | 0.7619 |
|---|---|
| Cosine metric | 0.8729 |
| Dice metric | 0.8649 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM46171
Similarity: 0.6349
Similarity to MM46171
| Tanimoto metric | 0.6349 |
|---|---|
| Cosine metric | 0.7968 |
| Dice metric | 0.7767 |
| MW: | 126.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM293337
Similarity: 0.6115
Similarity to MM293337
| Tanimoto metric | 0.6115 |
|---|---|
| Cosine metric | 0.7589 |
| Dice metric | 0.7589 |
| MW: | 148.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+15 more
