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DocumentationIdentifier: MM406690
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM406690 |
| SMILES |
N#CC(CO)C(O)CCO
|
| InChIKey |
NLTHEWNHCJAXHY-UHFFFAOYSA-N
|
| MW [Da] |
145.16
Automatically obtained from RDkit software. |
| LogP |
-1.14
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM406815
Similarity: 0.823
Similarity to MM406815
| Tanimoto metric | 0.823 |
|---|---|
| Cosine metric | 0.9029 |
| Dice metric | 0.9029 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM172074
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| Tanimoto metric | 0.7767 |
|---|---|
| Cosine metric | 0.8813 |
| Dice metric | 0.8743 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM348350
Similarity: 0.7739
Similarity to MM348350
| Tanimoto metric | 0.7739 |
|---|---|
| Cosine metric | 0.8726 |
| Dice metric | 0.8725 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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