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DocumentationIdentifier: MM51242
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM51242 |
| SMILES |
N#CCNC(CO)CCO
|
| InChIKey |
BZZBJJXUDFWRRM-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
-1.16
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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MM47096
Similarity: 0.7938
Similarity to MM47096
| Tanimoto metric | 0.7938 |
|---|---|
| Cosine metric | 0.891 |
| Dice metric | 0.8851 |
| MW: | 128.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM177787
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| Tanimoto metric | 0.7835 |
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| Cosine metric | 0.8852 |
| Dice metric | 0.8786 |
| MW: | 133.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.66 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM385876
Similarity: 0.7238
Similarity to MM385876
| Tanimoto metric | 0.7238 |
|---|---|
| Cosine metric | 0.842 |
| Dice metric | 0.8398 |
| MW: | 149.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+252 more
