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DocumentationIdentifier: MM291467
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM291467 |
| SMILES |
CC(COCCO)OC=O
|
| InChIKey |
JPVCRVOVDJXQHA-UHFFFAOYSA-N
|
| MW [Da] |
148.16
Automatically obtained from RDkit software. |
| LogP |
-0.44
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM286988
Similarity: 0.8
Similarity to MM286988
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8919 |
| Dice metric | 0.8889 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM386303
Similarity: 0.7528
Similarity to MM386303
| Tanimoto metric | 0.7528 |
|---|---|
| Cosine metric | 0.8607 |
| Dice metric | 0.859 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM165621
Similarity: 0.726
Similarity to MM165621
| Tanimoto metric | 0.726 |
|---|---|
| Cosine metric | 0.8521 |
| Dice metric | 0.8413 |
| MW: | 134.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+303 more
