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DocumentationIdentifier: MM84811
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM84811 |
| SMILES |
C#CC(=O)C(C)COC=O
|
| InChIKey |
LVXSUKFPPNBUQI-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP | N/A |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM377962
Similarity: 0.7218
Similarity to MM377962
| Tanimoto metric | 0.7218 |
|---|---|
| Cosine metric | 0.8384 |
| Dice metric | 0.8384 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM48769
Similarity: 0.6696
Similarity to MM48769
| Tanimoto metric | 0.6696 |
|---|---|
| Cosine metric | 0.8183 |
| Dice metric | 0.8021 |
| MW: | 126.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM35575
Similarity: 0.6087
Similarity to MM35575
| Tanimoto metric | 0.6087 |
|---|---|
| Cosine metric | 0.7802 |
| Dice metric | 0.7568 |
| MW: | 112.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+122 more
