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DocumentationIdentifier: MM166909
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM166909 |
| SMILES |
C=CC(=O)OCCOC
|
| InChIKey |
HFCUBKYHMMPGBY-UHFFFAOYSA-N
|
| MW [Da] |
130.14
Automatically obtained from RDkit software. |
| LogP |
0.36
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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MM365863
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Similarity to MM365863
| Tanimoto metric | 0.9452 |
|---|---|
| Cosine metric | 0.9722 |
| Dice metric | 0.9718 |
| MW: | 144.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.8551 |
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| Cosine metric | 0.9247 |
| Dice metric | 0.9219 |
| MW: | 116.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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Similarity to MM287266
| Tanimoto metric | 0.8082 |
|---|---|
| Cosine metric | 0.8949 |
| Dice metric | 0.8939 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+364 more
