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DocumentationIdentifier: MM268608
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM268608 |
| SMILES |
C=CC(O)C(C)OC(C)=O
|
| InChIKey |
JPWOPKXQFMNFPI-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
0.48
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM40753
Similarity: 0.708
Similarity to MM40753
| Tanimoto metric | 0.708 |
|---|---|
| Cosine metric | 0.8414 |
| Dice metric | 0.8291 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM50031
Similarity: 0.6934
Similarity to MM50031
| Tanimoto metric | 0.6934 |
|---|---|
| Cosine metric | 0.8327 |
| Dice metric | 0.819 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.09 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM43744
Similarity: 0.635
Similarity to MM43744
| Tanimoto metric | 0.635 |
|---|---|
| Cosine metric | 0.7969 |
| Dice metric | 0.7768 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+119 more
