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DocumentationIdentifier: MM316725
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM316725 |
| SMILES |
C=C(CC)OCC(O)CO
|
| InChIKey |
PMZNWNGFRURVME-UHFFFAOYSA-N
|
| MW [Da] |
146.19
Automatically obtained from RDkit software. |
| LogP |
0.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM144331
Similarity: 0.8298
Similarity to MM144331
| Tanimoto metric | 0.8298 |
|---|---|
| Cosine metric | 0.9109 |
| Dice metric | 0.907 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM250682
Similarity: 0.7647
Similarity to MM250682
| Tanimoto metric | 0.7647 |
|---|---|
| Cosine metric | 0.8675 |
| Dice metric | 0.8667 |
| MW: | 146.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.54 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM316727
Similarity: 0.7248
Similarity to MM316727
| Tanimoto metric | 0.7248 |
|---|---|
| Cosine metric | 0.8404 |
| Dice metric | 0.8404 |
| MW: | 148.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+554 more
