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DocumentationIdentifier: MM160025
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM160025 |
| SMILES |
CC(O)C(O)C(O)C#N
|
| InChIKey |
UAXDAICSQTWUFO-UHFFFAOYSA-N
|
| MW [Da] |
131.13
Automatically obtained from RDkit software. |
| LogP |
-1.39
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM348361
Similarity: 0.8077
Similarity to MM348361
| Tanimoto metric | 0.8077 |
|---|---|
| Cosine metric | 0.8987 |
| Dice metric | 0.8936 |
| MW: | 145.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM348363
Similarity: 0.8
Similarity to MM348363
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 147.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -2.42 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM50022
Similarity: 0.7841
Similarity to MM50022
| Tanimoto metric | 0.7841 |
|---|---|
| Cosine metric | 0.8811 |
| Dice metric | 0.879 |
| MW: | 126.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.85 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+548 more
