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DocumentationIdentifier: MM262635
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM262635 |
| SMILES |
C#CCC(=O)CC(O)CO
|
| InChIKey |
YAMFLWVYPIQSPE-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
-0.68
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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MM41128
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| Tanimoto metric | 0.7905 |
|---|---|
| Cosine metric | 0.8891 |
| Dice metric | 0.883 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.8619 |
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||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
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Total active interactions
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MM262406
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Similarity to MM262406
| Tanimoto metric | 0.6964 |
|---|---|
| Cosine metric | 0.8256 |
| Dice metric | 0.8211 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -1.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+257 more
