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DocumentationIdentifier: MM58879
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM58879 |
| SMILES |
C#CC(=O)C(C)(O)COC
|
| InChIKey |
ITXQCXJTMJBRTO-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
-0.41
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM41668
Similarity: 0.7607
Similarity to MM41668
| Tanimoto metric | 0.7607 |
|---|---|
| Cosine metric | 0.8722 |
| Dice metric | 0.8641 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM306992
Similarity: 0.6813
Similarity to MM306992
| Tanimoto metric | 0.6813 |
|---|---|
| Cosine metric | 0.8122 |
| Dice metric | 0.8105 |
| MW: | 144.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM235195
Similarity: 0.6324
Similarity to MM235195
| Tanimoto metric | 0.6324 |
|---|---|
| Cosine metric | 0.7773 |
| Dice metric | 0.7748 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+117 more
