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DocumentationIdentifier: MM233060
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM233060 |
| SMILES |
CC(C)(CCO)C(O)CO
|
| InChIKey |
JTAFZEOTNAIDLD-UHFFFAOYSA-N
|
| MW [Da] |
148.2
Automatically obtained from RDkit software. |
| LogP |
-0.25
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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MM137447
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| Tanimoto metric | 0.8315 |
|---|---|
| Cosine metric | 0.9118 |
| Dice metric | 0.908 |
| MW: | 132.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
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| LogP: | 0.78 |
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|---|---|
| Cosine metric | 0.8458 |
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||||
|---|---|---|---|---|---|
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Total passive interactions
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| LogP: | 1.17 |
||||
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| AI: | 0
Total active interactions
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+363 more
