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DocumentationIdentifier: MM90213
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM90213 |
| SMILES |
O=CC=C(C=O)OCC=O
|
| InChIKey |
OPODESYYTRNLLH-UHFFFAOYSA-N
|
| MW [Da] |
142.11
Automatically obtained from RDkit software. |
| LogP |
-0.52
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM179174
Similarity: 0.8913
Similarity to MM179174
| Tanimoto metric | 0.8913 |
|---|---|
| Cosine metric | 0.9441 |
| Dice metric | 0.9425 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM47113
Similarity: 0.7826
Similarity to MM47113
| Tanimoto metric | 0.7826 |
|---|---|
| Cosine metric | 0.8847 |
| Dice metric | 0.878 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM90146
Similarity: 0.7477
Similarity to MM90146
| Tanimoto metric | 0.7477 |
|---|---|
| Cosine metric | 0.8568 |
| Dice metric | 0.8557 |
| MW: | 144.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+194 more
