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DocumentationIdentifier: MM223398
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM223398 |
| SMILES |
C=C(C)CC(=O)C=C(C)C
|
| InChIKey |
MQSRGPLGKUWDAY-UHFFFAOYSA-N
|
| MW [Da] |
138.21
Automatically obtained from RDkit software. |
| LogP |
2.49
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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MM135854
Similarity: 0.8454
Similarity to MM135854
| Tanimoto metric | 0.8454 |
|---|---|
| Cosine metric | 0.9194 |
| Dice metric | 0.9162 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM265266
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| Tanimoto metric | 0.7748 |
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| Cosine metric | 0.8732 |
| Dice metric | 0.8731 |
| MW: | 138.21 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM237618
Similarity: 0.7455
Similarity to MM237618
| Tanimoto metric | 0.7455 |
|---|---|
| Cosine metric | 0.8542 |
| Dice metric | 0.8542 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+362 more
