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DocumentationIdentifier: MM317723
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM317723 |
| SMILES |
COC(=O)COC(C)C=O
|
| InChIKey |
UCXFOCBKAUHELM-UHFFFAOYSA-N
|
| MW [Da] |
146.14
Automatically obtained from RDkit software. |
| LogP |
-0.24
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM144630
Similarity: 0.7907
Similarity to MM144630
| Tanimoto metric | 0.7907 |
|---|---|
| Cosine metric | 0.8892 |
| Dice metric | 0.8831 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.58 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM398373
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| Tanimoto metric | 0.7234 |
|---|---|
| Cosine metric | 0.8411 |
| Dice metric | 0.8395 |
| MW: | 146.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM262731
Similarity: 0.717
Similarity to MM262731
| Tanimoto metric | 0.717 |
|---|---|
| Cosine metric | 0.8364 |
| Dice metric | 0.8352 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+202 more
