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DocumentationIdentifier: MM350769
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM350769 |
| SMILES |
N#CC(O)C(=O)CCCO
|
| InChIKey |
GVUILKOJSBFGIJ-UHFFFAOYSA-N
|
| MW [Da] |
143.14
Automatically obtained from RDkit software. |
| LogP |
-0.79
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM351107
Similarity: 0.7686
Similarity to MM351107
| Tanimoto metric | 0.7686 |
|---|---|
| Cosine metric | 0.8693 |
| Dice metric | 0.8692 |
| MW: | 138.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM351105
Similarity: 0.7323
Similarity to MM351105
| Tanimoto metric | 0.7323 |
|---|---|
| Cosine metric | 0.8455 |
| Dice metric | 0.8455 |
| MW: | 141.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM85091
Similarity: 0.694
Similarity to MM85091
| Tanimoto metric | 0.694 |
|---|---|
| Cosine metric | 0.82 |
| Dice metric | 0.8194 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+229 more
