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DocumentationIdentifier: MM292955
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM292955 |
| SMILES |
C=CCC(=O)C(O)COC
|
| InChIKey |
OREXQRTWWUAQCE-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
0.14
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM172364
Similarity: 0.7581
Similarity to MM172364
| Tanimoto metric | 0.7581 |
|---|---|
| Cosine metric | 0.8707 |
| Dice metric | 0.8624 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM408101
Similarity: 0.6731
Similarity to MM408101
| Tanimoto metric | 0.6731 |
|---|---|
| Cosine metric | 0.8056 |
| Dice metric | 0.8046 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM298097
Similarity: 0.6376
Similarity to MM298097
| Tanimoto metric | 0.6376 |
|---|---|
| Cosine metric | 0.7788 |
| Dice metric | 0.7787 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+232 more
