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DocumentationIdentifier: MM16190
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM16190 |
| SMILES |
C#CC(=CC(=O)O)OC=O
|
| InChIKey |
FGQSHALUCPRCNW-UHFFFAOYSA-N
|
| MW [Da] |
140.09
Automatically obtained from RDkit software. |
| LogP |
-0.24
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM52067
Similarity: 0.708
Similarity to MM52067
| Tanimoto metric | 0.708 |
|---|---|
| Cosine metric | 0.8414 |
| Dice metric | 0.8291 |
| MW: | 124.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM52055
Similarity: 0.6934
Similarity to MM52055
| Tanimoto metric | 0.6934 |
|---|---|
| Cosine metric | 0.8327 |
| Dice metric | 0.819 |
| MW: | 126.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM267759
Similarity: 0.6013
Similarity to MM267759
| Tanimoto metric | 0.6013 |
|---|---|
| Cosine metric | 0.7536 |
| Dice metric | 0.751 |
| MW: | 144.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+74 more
