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DocumentationIdentifier: MM33944
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM33944 |
| SMILES |
C=C(CCO)OC=O
|
| InChIKey |
AZFCFKXKPKEMKK-UHFFFAOYSA-N
|
| MW [Da] |
116.12
Automatically obtained from RDkit software. |
| LogP |
0.06
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM98106
Similarity: 0.7869
Similarity to MM98106
| Tanimoto metric | 0.7869 |
|---|---|
| Cosine metric | 0.8871 |
| Dice metric | 0.8807 |
| MW: | 100.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM173148
Similarity: 0.6854
Similarity to MM173148
| Tanimoto metric | 0.6854 |
|---|---|
| Cosine metric | 0.8279 |
| Dice metric | 0.8133 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM107452
Similarity: 0.6849
Similarity to MM107452
| Tanimoto metric | 0.6849 |
|---|---|
| Cosine metric | 0.813 |
| Dice metric | 0.813 |
| MW: | 112.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.25 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+175 more
