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DocumentationIdentifier: MM227143
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM227143 |
| SMILES |
C#CC(C)(O)CC(=O)CO
|
| InChIKey |
YSSCQFSSUPEAEP-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
-0.68
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM40117
Similarity: 0.7721
Similarity to MM40117
| Tanimoto metric | 0.7721 |
|---|---|
| Cosine metric | 0.8787 |
| Dice metric | 0.8714 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM58387
Similarity: 0.7
Similarity to MM58387
| Tanimoto metric | 0.7 |
|---|---|
| Cosine metric | 0.8254 |
| Dice metric | 0.8235 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.04 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM142446
Similarity: 0.6765
Similarity to MM142446
| Tanimoto metric | 0.6765 |
|---|---|
| Cosine metric | 0.8225 |
| Dice metric | 0.807 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.07 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+168 more
