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DocumentationIdentifier: MM66862
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM66862 |
| SMILES |
C=COC(CO)CC(C)=O
|
| InChIKey |
WEANXMVXQUZBKE-UHFFFAOYSA-N
|
| MW [Da] |
144.17
Automatically obtained from RDkit software. |
| LogP |
0.49
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM149913
Similarity: 0.7686
Similarity to MM149913
| Tanimoto metric | 0.7686 |
|---|---|
| Cosine metric | 0.8767 |
| Dice metric | 0.8692 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM135288
Similarity: 0.7273
Similarity to MM135288
| Tanimoto metric | 0.7273 |
|---|---|
| Cosine metric | 0.8528 |
| Dice metric | 0.8421 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM328584
Similarity: 0.662
Similarity to MM328584
| Tanimoto metric | 0.662 |
|---|---|
| Cosine metric | 0.7969 |
| Dice metric | 0.7966 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+84 more
