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DocumentationIdentifier: MM356987
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM356987 |
| SMILES |
C=C(CO)C(=O)C=CCO
|
| InChIKey |
MRKGNOOJXOHOIB-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
-0.35
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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MM174487
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| Tanimoto metric | 0.8707 |
|---|---|
| Cosine metric | 0.9331 |
| Dice metric | 0.9309 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
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| LogP: | 0.68 |
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|---|---|
| Cosine metric | 0.8561 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 0.85 |
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Total active interactions
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+260 more
