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DocumentationIdentifier: MM307963
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM307963 |
| SMILES |
O=CCCC(O)(CO)CO
|
| InChIKey |
NZPKNGWOGVFIEO-UHFFFAOYSA-N
|
| MW [Da] |
148.16
Automatically obtained from RDkit software. |
| LogP |
-1.32
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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MM77126
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Similarity to MM77126
| Tanimoto metric | 0.6752 |
|---|---|
| Cosine metric | 0.8072 |
| Dice metric | 0.8061 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.6698 |
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| Cosine metric | 0.8033 |
| Dice metric | 0.8023 |
| MW: | 148.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.25 |
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| AI: | 0
Total active interactions
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|---|---|
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||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.05 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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+326 more
