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DocumentationIdentifier: MM349669
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM349669 |
| SMILES |
C=C(C=O)C(C)C(C)C=O
|
| InChIKey |
DNWMCPCETPWJEK-UHFFFAOYSA-N
|
| MW [Da] |
140.18
Automatically obtained from RDkit software. |
| LogP |
1.21
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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MM160207
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| Tanimoto metric | 0.7925 |
|---|---|
| Cosine metric | 0.8902 |
| Dice metric | 0.8842 |
| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM160423
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| MW: | 126.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 2.03 |
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MM172757
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Similarity to MM172757
| Tanimoto metric | 0.717 |
|---|---|
| Cosine metric | 0.8467 |
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| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.97 |
||||
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| AI: | 0
Total active interactions
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