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DocumentationIdentifier: MM50371
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM50371 |
| SMILES |
N#CCC(=O)C(O)C#N
|
| InChIKey |
YTPMVAVFAMSKKI-UHFFFAOYSA-N
|
| MW [Da] |
124.1
Automatically obtained from RDkit software. |
| LogP |
-0.65
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM35602
Similarity: 0.8471
Similarity to MM35602
| Tanimoto metric | 0.8471 |
|---|---|
| Cosine metric | 0.9204 |
| Dice metric | 0.9172 |
| MW: | 113.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM82664
Similarity: 0.8333
Similarity to MM82664
| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 140.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM34553
Similarity: 0.8
Similarity to MM34553
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 113.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+122 more
