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DocumentationIdentifier: MM365397
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM365397 |
| SMILES |
C#CCOCCC(=O)CO
|
| InChIKey |
SOIZGDRLCNHVQR-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
-0.41
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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MM45016
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Similarity to MM45016
| Tanimoto metric | 0.8148 |
|---|---|
| Cosine metric | 0.9027 |
| Dice metric | 0.898 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.8025 |
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| Cosine metric | 0.8958 |
| Dice metric | 0.8904 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.03 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM91181
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Similarity to MM91181
| Tanimoto metric | 0.7647 |
|---|---|
| Cosine metric | 0.8695 |
| Dice metric | 0.8667 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.36 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+317 more
