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DocumentationIdentifier: MM292632
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM292632 |
| SMILES |
CC(CCO)C(O)CC#N
|
| InChIKey |
HYNPXAAYOFROLJ-UHFFFAOYSA-N
|
| MW [Da] |
143.19
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
MM171928
Similarity: 0.7684
Similarity to MM171928
| Tanimoto metric | 0.7684 |
|---|---|
| Cosine metric | 0.8766 |
| Dice metric | 0.869 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM64611
Similarity: 0.7404
Similarity to MM64611
| Tanimoto metric | 0.7404 |
|---|---|
| Cosine metric | 0.8519 |
| Dice metric | 0.8508 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM171738
Similarity: 0.7158
Similarity to MM171738
| Tanimoto metric | 0.7158 |
|---|---|
| Cosine metric | 0.846 |
| Dice metric | 0.8344 |
| MW: | 132.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+431 more
