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DocumentationIdentifier: MM58721
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM58721 |
| SMILES |
CC(C)(CCO)C(O)C#N
|
| InChIKey |
PFPJGORUFWHNQB-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
MM137534
Similarity: 0.757
Similarity to MM137534
| Tanimoto metric | 0.757 |
|---|---|
| Cosine metric | 0.8701 |
| Dice metric | 0.8617 |
| MW: | 127.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.31 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM132549
Similarity: 0.6542
Similarity to MM132549
| Tanimoto metric | 0.6542 |
|---|---|
| Cosine metric | 0.8088 |
| Dice metric | 0.791 |
| MW: | 132.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM58698
Similarity: 0.6462
Similarity to MM58698
| Tanimoto metric | 0.6462 |
|---|---|
| Cosine metric | 0.785 |
| Dice metric | 0.785 |
| MW: | 143.19 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+282 more
