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DocumentationIdentifier: MM312882
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM312882 |
| SMILES |
CC(C)(CO)CCCCO
|
| InChIKey |
UYZUYVVDLFXCCV-UHFFFAOYSA-N
|
| MW [Da] |
146.23
Automatically obtained from RDkit software. |
| LogP |
1.17
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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MM388467
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| Tanimoto metric | 0.931 |
|---|---|
| Cosine metric | 0.9643 |
| Dice metric | 0.9643 |
| MW: | 144.26 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Cosine metric | 0.9636 |
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
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| LogP: | 2.2 |
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|---|---|---|---|---|---|
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Total active interactions
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MM388634
Similarity: 0.8387
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| Tanimoto metric | 0.8387 |
|---|---|
| Cosine metric | 0.9124 |
| Dice metric | 0.9123 |
| MW: | 144.26 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.59 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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