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DocumentationIdentifier: MM346925
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM346925 |
| SMILES |
COC(=CCC(C)=O)CO
|
| InChIKey |
QSKQDWIROKOWPQ-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
MM55620
Similarity: 0.7589
Similarity to MM55620
| Tanimoto metric | 0.7589 |
|---|---|
| Cosine metric | 0.8712 |
| Dice metric | 0.8629 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM437125
Similarity: 0.6911
Similarity to MM437125
| Tanimoto metric | 0.6911 |
|---|---|
| Cosine metric | 0.8197 |
| Dice metric | 0.8173 |
| MW: | 144.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.49 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM325005
Similarity: 0.6769
Similarity to MM325005
| Tanimoto metric | 0.6769 |
|---|---|
| Cosine metric | 0.8076 |
| Dice metric | 0.8073 |
| MW: | 142.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+262 more
