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DocumentationIdentifier: MM413726
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM413726 |
| SMILES |
CC#CC(=O)C(C=O)OC
|
| InChIKey |
WTDLKUSVBSVCLO-UHFFFAOYSA-N
|
| MW [Da] |
140.14
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
MM15863
Similarity: 0.7786
Similarity to MM15863
| Tanimoto metric | 0.7786 |
|---|---|
| Cosine metric | 0.8824 |
| Dice metric | 0.8755 |
| MW: | 126.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM174681
Similarity: 0.7643
Similarity to MM174681
| Tanimoto metric | 0.7643 |
|---|---|
| Cosine metric | 0.8742 |
| Dice metric | 0.8664 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM90483
Similarity: 0.6987
Similarity to MM90483
| Tanimoto metric | 0.6987 |
|---|---|
| Cosine metric | 0.824 |
| Dice metric | 0.8226 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+48 more
