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DocumentationIdentifier: MM260303
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM260303 |
| SMILES |
C=CC(N)C#CCC(=N)N
|
| InChIKey |
LSIWBWHXLDIROA-UHFFFAOYSA-N
|
| MW [Da] |
137.19
Automatically obtained from RDkit software. |
| LogP |
-0.17
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM133329
Similarity: 0.7526
Similarity to MM133329
| Tanimoto metric | 0.7526 |
|---|---|
| Cosine metric | 0.8675 |
| Dice metric | 0.8588 |
| MW: | 125.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM153933
Similarity: 0.6804
Similarity to MM153933
| Tanimoto metric | 0.6804 |
|---|---|
| Cosine metric | 0.8249 |
| Dice metric | 0.8098 |
| MW: | 122.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM260317
Similarity: 0.6518
Similarity to MM260317
| Tanimoto metric | 0.6518 |
|---|---|
| Cosine metric | 0.7901 |
| Dice metric | 0.7892 |
| MW: | 135.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+329 more
