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DocumentationIdentifier: MM307132
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM307132 |
| SMILES |
C=CC(=O)C(C)(C=O)CO
|
| InChIKey |
IKCNZBZYVRUZCG-UHFFFAOYSA-N
|
| MW [Da] |
142.15
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
MM41646
Similarity: 0.7
Similarity to MM41646
| Tanimoto metric | 0.7 |
|---|---|
| Cosine metric | 0.8367 |
| Dice metric | 0.8235 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM306956
Similarity: 0.619
Similarity to MM306956
| Tanimoto metric | 0.619 |
|---|---|
| Cosine metric | 0.768 |
| Dice metric | 0.7647 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM234835
Similarity: 0.5657
Similarity to MM234835
| Tanimoto metric | 0.5657 |
|---|---|
| Cosine metric | 0.7236 |
| Dice metric | 0.7226 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+48 more
