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DocumentationIdentifier: MM298244
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM298244 |
| SMILES |
C=C(C(C)C)C(C)CC=O
|
| InChIKey |
ICRSXLNFVUVQTL-UHFFFAOYSA-N
|
| MW [Da] |
140.23
Automatically obtained from RDkit software. |
| LogP |
2.42
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM172496
Similarity: 0.8621
Similarity to MM172496
| Tanimoto metric | 0.8621 |
|---|---|
| Cosine metric | 0.9285 |
| Dice metric | 0.9259 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM162474
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| Tanimoto metric | 0.7356 |
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| Cosine metric | 0.8577 |
| Dice metric | 0.8477 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.18 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM293431
Similarity: 0.7075
Similarity to MM293431
| Tanimoto metric | 0.7075 |
|---|---|
| Cosine metric | 0.8293 |
| Dice metric | 0.8287 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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