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DocumentationIdentifier: MM62286
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM62286 |
| SMILES |
C#CC(O)CC(=O)C(C)C
|
| InChIKey |
OQJYNDVZUMSFKN-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
0.6
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM43056
Similarity: 0.8
Similarity to MM43056
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM262945
Similarity: 0.7355
Similarity to MM262945
| Tanimoto metric | 0.7355 |
|---|---|
| Cosine metric | 0.8486 |
| Dice metric | 0.8476 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM64998
Similarity: 0.7097
Similarity to MM64998
| Tanimoto metric | 0.7097 |
|---|---|
| Cosine metric | 0.8308 |
| Dice metric | 0.8302 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+208 more
