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DocumentationIdentifier: MM145757
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM145757 |
| SMILES |
N#CCCNCC(O)C#N
|
| InChIKey |
VIRASQUMEJVPKP-UHFFFAOYSA-N
|
| MW [Da] |
139.16
Automatically obtained from RDkit software. |
| LogP |
-0.63
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM145651
Similarity: 0.7284
Similarity to MM145651
| Tanimoto metric | 0.7284 |
|---|---|
| Cosine metric | 0.8429 |
| Dice metric | 0.8429 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM145653
Similarity: 0.6782
Similarity to MM145653
| Tanimoto metric | 0.6782 |
|---|---|
| Cosine metric | 0.8094 |
| Dice metric | 0.8082 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM145647
Similarity: 0.6782
Similarity to MM145647
| Tanimoto metric | 0.6782 |
|---|---|
| Cosine metric | 0.8094 |
| Dice metric | 0.8082 |
| MW: | 132.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.57 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+98 more
