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DocumentationIdentifier: MM319708
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM319708 |
| SMILES |
C=CC(=O)COC(=O)CO
|
| InChIKey |
ALBMVOBDCKGBDZ-UHFFFAOYSA-N
|
| MW [Da] |
144.13
Automatically obtained from RDkit software. |
| LogP |
-0.72
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM145042
Similarity: 0.7523
Similarity to MM145042
| Tanimoto metric | 0.7523 |
|---|---|
| Cosine metric | 0.8673 |
| Dice metric | 0.8586 |
| MW: | 132.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM319705
Similarity: 0.6772
Similarity to MM319705
| Tanimoto metric | 0.6772 |
|---|---|
| Cosine metric | 0.8077 |
| Dice metric | 0.8075 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM320008
Similarity: 0.6641
Similarity to MM320008
| Tanimoto metric | 0.6641 |
|---|---|
| Cosine metric | 0.7983 |
| Dice metric | 0.7981 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+32 more
