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DocumentationIdentifier: MM403499
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM403499 |
| SMILES |
COC(C=O)COCC=O
|
| InChIKey |
FGLSLKHDDCTBKF-UHFFFAOYSA-N
|
| MW [Da] |
146.14
Automatically obtained from RDkit software. |
| LogP |
-0.58
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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| Tanimoto metric | 0.8795 |
|---|---|
| Cosine metric | 0.9378 |
| Dice metric | 0.9359 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.7872 |
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| Cosine metric | 0.881 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.63 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM403031
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|---|---|
| Cosine metric | 0.8795 |
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| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.79 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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