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DocumentationIdentifier: MM291981
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM291981 |
| SMILES |
N#CCCOC(=O)CCO
|
| InChIKey |
JMAIOQXJMXPZDB-UHFFFAOYSA-N
|
| MW [Da] |
143.14
Automatically obtained from RDkit software. |
| LogP |
-0.17
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM15978
Similarity: 0.7245
Similarity to MM15978
| Tanimoto metric | 0.7245 |
|---|---|
| Cosine metric | 0.8403 |
| Dice metric | 0.8402 |
| MW: | 141.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM250920
Similarity: 0.7041
Similarity to MM250920
| Tanimoto metric | 0.7041 |
|---|---|
| Cosine metric | 0.8265 |
| Dice metric | 0.8263 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM291979
Similarity: 0.697
Similarity to MM291979
| Tanimoto metric | 0.697 |
|---|---|
| Cosine metric | 0.8215 |
| Dice metric | 0.8214 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+518 more
