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DocumentationIdentifier: MM47319
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM47319 |
| SMILES |
C#CC(C)C(O)C(C)=O
|
| InChIKey |
CTVQQOOVMALIEO-UHFFFAOYSA-N
|
| MW [Da] |
126.16
Automatically obtained from RDkit software. |
| LogP |
0.21
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM72607
Similarity: 0.8992
Similarity to MM72607
| Tanimoto metric | 0.8992 |
|---|---|
| Cosine metric | 0.9482 |
| Dice metric | 0.9469 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM82426
Similarity: 0.8106
Similarity to MM82426
| Tanimoto metric | 0.8106 |
|---|---|
| Cosine metric | 0.9003 |
| Dice metric | 0.8954 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM298223
Similarity: 0.7279
Similarity to MM298223
| Tanimoto metric | 0.7279 |
|---|---|
| Cosine metric | 0.8532 |
| Dice metric | 0.8425 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+271 more
