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DocumentationIdentifier: MM168890
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM168890 |
| SMILES |
C#CC(=O)OC=CCO
|
| InChIKey |
KYQUMXGXJZOVJI-UHFFFAOYSA-N
|
| MW [Da] |
126.11
Automatically obtained from RDkit software. |
| LogP |
-0.33
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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MM374349
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| Tanimoto metric | 0.908 |
|---|---|
| Cosine metric | 0.9529 |
| Dice metric | 0.9518 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM280871
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| Tanimoto metric | 0.8229 |
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| Cosine metric | 0.9071 |
| Dice metric | 0.9029 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.06 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM113760
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Similarity to MM113760
| Tanimoto metric | 0.8228 |
|---|---|
| Cosine metric | 0.9071 |
| Dice metric | 0.9028 |
| MW: | 110.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+171 more
