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DocumentationIdentifier: MM83249
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM83249 |
| SMILES |
C=COCC(=O)OCOC
|
| InChIKey |
HFNSINXOLFPLGH-UHFFFAOYSA-N
|
| MW [Da] |
146.14
Automatically obtained from RDkit software. |
| LogP |
0.29
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM45873
Similarity: 0.7816
Similarity to MM45873
| Tanimoto metric | 0.7816 |
|---|---|
| Cosine metric | 0.8841 |
| Dice metric | 0.8774 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.22 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM69511
Similarity: 0.7732
Similarity to MM69511
| Tanimoto metric | 0.7732 |
|---|---|
| Cosine metric | 0.8722 |
| Dice metric | 0.8721 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM166755
Similarity: 0.6701
Similarity to MM166755
| Tanimoto metric | 0.6701 |
|---|---|
| Cosine metric | 0.8047 |
| Dice metric | 0.8025 |
| MW: | 132.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+273 more
