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DocumentationIdentifier: MM239783
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM239783 |
| SMILES |
CC(O)(C=O)COCC=O
|
| InChIKey |
MFLKUAFKSKZQIJ-UHFFFAOYSA-N
|
| MW [Da] |
146.14
Automatically obtained from RDkit software. |
| LogP |
-0.85
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM138374
Similarity: 0.8723
Similarity to MM138374
| Tanimoto metric | 0.8723 |
|---|---|
| Cosine metric | 0.934 |
| Dice metric | 0.9318 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM239667
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| Tanimoto metric | 0.7885 |
|---|---|
| Cosine metric | 0.8818 |
| Dice metric | 0.8817 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM309305
Similarity: 0.7593
Similarity to MM309305
| Tanimoto metric | 0.7593 |
|---|---|
| Cosine metric | 0.8632 |
| Dice metric | 0.8632 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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