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DocumentationIdentifier: MM269485
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM269485 |
| SMILES |
C=CC(O)C(O)CC(=O)O
|
| InChIKey |
NZHBDTOZWJHRAX-UHFFFAOYSA-N
|
| MW [Da] |
146.14
Automatically obtained from RDkit software. |
| LogP |
-0.63
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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MM256097
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Similarity to MM256097
| Tanimoto metric | 0.6644 |
|---|---|
| Cosine metric | 0.8014 |
| Dice metric | 0.7984 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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| Tanimoto metric | 0.6212 |
|---|---|
| Cosine metric | 0.7882 |
| Dice metric | 0.7664 |
| MW: | 130.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.4 |
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|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM306930
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Similarity to MM306930
| Tanimoto metric | 0.6211 |
|---|---|
| Cosine metric | 0.7663 |
| Dice metric | 0.7663 |
| MW: | 146.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+85 more
