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DocumentationIdentifier: MM305175
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM305175 |
| SMILES |
C#CCC(OC=O)C(C)O
|
| InChIKey |
UWIWEFQTGHPVAN-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
-0.07
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM292762
Similarity: 0.7153
Similarity to MM292762
| Tanimoto metric | 0.7153 |
|---|---|
| Cosine metric | 0.8341 |
| Dice metric | 0.834 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM172296
Similarity: 0.6183
Similarity to MM172296
| Tanimoto metric | 0.6183 |
|---|---|
| Cosine metric | 0.7683 |
| Dice metric | 0.7642 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM49978
Similarity: 0.5814
Similarity to MM49978
| Tanimoto metric | 0.5814 |
|---|---|
| Cosine metric | 0.7434 |
| Dice metric | 0.7353 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+57 more
