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DocumentationIdentifier: MM377138
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM377138 |
| SMILES |
C#CC(OC=O)C(O)CN
|
| InChIKey |
MDZDAJIDVFXAQI-UHFFFAOYSA-N
|
| MW [Da] |
143.14
Automatically obtained from RDkit software. |
| LogP |
-1.52
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM171990
Similarity: 0.6738
Similarity to MM171990
| Tanimoto metric | 0.6738 |
|---|---|
| Cosine metric | 0.8208 |
| Dice metric | 0.8051 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.13 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM178091
Similarity: 0.6454
Similarity to MM178091
| Tanimoto metric | 0.6454 |
|---|---|
| Cosine metric | 0.8034 |
| Dice metric | 0.7845 |
| MW: | 127.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM94376
Similarity: 0.6289
Similarity to MM94376
| Tanimoto metric | 0.6289 |
|---|---|
| Cosine metric | 0.7753 |
| Dice metric | 0.7722 |
| MW: | 138.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+52 more
