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DocumentationIdentifier: MM39794
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM39794 |
| SMILES |
N#CCC=CCC#N
|
| InChIKey |
BSVZXPLUMFUWHW-UHFFFAOYSA-N
|
| MW [Da] |
106.13
Automatically obtained from RDkit software. |
| LogP |
1.37
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM100905
Similarity: 0.9333
Similarity to MM100905
| Tanimoto metric | 0.9333 |
|---|---|
| Cosine metric | 0.9661 |
| Dice metric | 0.9655 |
| MW: | 95.15 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.87 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM25217
Similarity: 0.8
Similarity to MM25217
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 81.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM39760
Similarity: 0.7368
Similarity to MM39760
| Tanimoto metric | 0.7368 |
|---|---|
| Cosine metric | 0.852 |
| Dice metric | 0.8485 |
| MW: | 109.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 2.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+258 more
