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DocumentationIdentifier: MM293139
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM293139 |
| SMILES |
CCCC=CC(=O)C(C)C
|
| InChIKey |
XSUVATNFVFCIBN-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
2.57
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM163359
Similarity: 0.9178
Similarity to MM163359
| Tanimoto metric | 0.9178 |
|---|---|
| Cosine metric | 0.958 |
| Dice metric | 0.9571 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM255607
Similarity: 0.8659
Similarity to MM255607
| Tanimoto metric | 0.8659 |
|---|---|
| Cosine metric | 0.9291 |
| Dice metric | 0.9281 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM293215
Similarity: 0.8625
Similarity to MM293215
| Tanimoto metric | 0.8625 |
|---|---|
| Cosine metric | 0.9264 |
| Dice metric | 0.9262 |
| MW: | 140.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+825 more
