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DocumentationIdentifier: MM196795
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM196795 |
| SMILES |
CCC(O)C(CO)CO
|
| InChIKey |
CJPZLUVQYODCFM-UHFFFAOYSA-N
|
| MW [Da] |
134.18
Automatically obtained from RDkit software. |
| LogP |
-0.64
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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MM35325
Similarity: 0.8814
Similarity to MM35325
| Tanimoto metric | 0.8814 |
|---|---|
| Cosine metric | 0.9388 |
| Dice metric | 0.9369 |
| MW: | 118.18 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM406414
Similarity: 0.8551
Similarity to MM406414
| Tanimoto metric | 0.8551 |
|---|---|
| Cosine metric | 0.9247 |
| Dice metric | 0.9219 |
| MW: | 150.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM47249
Similarity: 0.7536
Similarity to MM47249
| Tanimoto metric | 0.7536 |
|---|---|
| Cosine metric | 0.8598 |
| Dice metric | 0.8595 |
| MW: | 132.2 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+525 more
