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DocumentationIdentifier: MM319510
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM319510 |
| SMILES |
C=CC(=O)OCC(=O)CC
|
| InChIKey |
PVCCWOZYSQKFNE-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
0.69
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM145177
Similarity: 0.7699
Similarity to MM145177
| Tanimoto metric | 0.7699 |
|---|---|
| Cosine metric | 0.8774 |
| Dice metric | 0.87 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM43860
Similarity: 0.7434
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| Tanimoto metric | 0.7434 |
|---|---|
| Cosine metric | 0.8622 |
| Dice metric | 0.8528 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.53 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM320008
Similarity: 0.6692
Similarity to MM320008
| Tanimoto metric | 0.6692 |
|---|---|
| Cosine metric | 0.8025 |
| Dice metric | 0.8018 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+55 more
