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DocumentationIdentifier: MM55448
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM55448 |
| SMILES |
COC(C#CCO)C=O
|
| InChIKey |
ZXETWHYVLXBBPM-UHFFFAOYSA-N
|
| MW [Da] |
128.13
Automatically obtained from RDkit software. |
| LogP |
-0.8
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM116358
Similarity: 0.8293
Similarity to MM116358
| Tanimoto metric | 0.8293 |
|---|---|
| Cosine metric | 0.9106 |
| Dice metric | 0.9067 |
| MW: | 112.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM379952
Similarity: 0.8039
Similarity to MM379952
| Tanimoto metric | 0.8039 |
|---|---|
| Cosine metric | 0.8966 |
| Dice metric | 0.8913 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM170545
Similarity: 0.75
Similarity to MM170545
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.859 |
| Dice metric | 0.8571 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+335 more
