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DocumentationIdentifier: MM292465
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM292465 |
| SMILES |
C=CC(=C)OCC(=O)O
|
| InChIKey |
OGYKWLGNNWPJLU-UHFFFAOYSA-N
|
| MW [Da] |
128.13
Automatically obtained from RDkit software. |
| LogP |
0.79
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM298641
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Similarity to MM298641
| Tanimoto metric | 0.7471 |
|---|---|
| Cosine metric | 0.8644 |
| Dice metric | 0.8553 |
| MW: | 116.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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| Tanimoto metric | 0.7311 |
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| Cosine metric | 0.855 |
| Dice metric | 0.8447 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM313778
Similarity: 0.6505
Similarity to MM313778
| Tanimoto metric | 0.6505 |
|---|---|
| Cosine metric | 0.7885 |
| Dice metric | 0.7882 |
| MW: | 132.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+58 more
