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DocumentationIdentifier: MM312736
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM312736 |
| SMILES |
C#CC(CC)(CN)OC=O
|
| InChIKey |
NBIQDMLRULXTOG-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
-0.1
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM59775
Similarity: 0.6644
Similarity to MM59775
| Tanimoto metric | 0.6644 |
|---|---|
| Cosine metric | 0.8151 |
| Dice metric | 0.7984 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM64970
Similarity: 0.6507
Similarity to MM64970
| Tanimoto metric | 0.6507 |
|---|---|
| Cosine metric | 0.8067 |
| Dice metric | 0.7884 |
| MW: | 131.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM54869
Similarity: 0.5951
Similarity to MM54869
| Tanimoto metric | 0.5951 |
|---|---|
| Cosine metric | 0.7519 |
| Dice metric | 0.7462 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+60 more
