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DocumentationIdentifier: MM83789
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM83789 |
| SMILES |
N#CC=CC(=O)NCC#N
|
| InChIKey |
SKNXCXUEULPAPF-UHFFFAOYSA-N
|
| MW [Da] |
135.13
Automatically obtained from RDkit software. |
| LogP |
-0.29
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM46453
Similarity: 0.8587
Similarity to MM46453
| Tanimoto metric | 0.8587 |
|---|---|
| Cosine metric | 0.9267 |
| Dice metric | 0.924 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM157980
Similarity: 0.8587
Similarity to MM157980
| Tanimoto metric | 0.8587 |
|---|---|
| Cosine metric | 0.9267 |
| Dice metric | 0.924 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.2 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM357837
Similarity: 0.7745
Similarity to MM357837
| Tanimoto metric | 0.7745 |
|---|---|
| Cosine metric | 0.873 |
| Dice metric | 0.8729 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.37 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+325 more
