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DocumentationIdentifier: MM55432
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM55432 |
| SMILES |
COC(C#CC=O)CO
|
| InChIKey |
BCBQCJNTYVMADL-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
MM89445
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Similarity to MM89445
| Tanimoto metric | 0.8173 |
|---|---|
| Cosine metric | 0.9041 |
| Dice metric | 0.8995 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM344975
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| Tanimoto metric | 0.7522 |
|---|---|
| Cosine metric | 0.8673 |
| Dice metric | 0.8586 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.41 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM37856
Similarity: 0.7412
Similarity to MM37856
| Tanimoto metric | 0.7412 |
|---|---|
| Cosine metric | 0.8609 |
| Dice metric | 0.8514 |
| MW: | 114.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+449 more
