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DocumentationIdentifier: MM86513
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM86513 |
| SMILES |
N#CC=C(C#N)C(O)C#N
|
| InChIKey |
HXGHNBJNOUJLLW-UHFFFAOYSA-N
|
| MW [Da] |
133.11
Automatically obtained from RDkit software. |
| LogP |
-0.16
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM53754
Similarity: 0.8425
Similarity to MM53754
| Tanimoto metric | 0.8425 |
|---|---|
| Cosine metric | 0.9179 |
| Dice metric | 0.9145 |
| MW: | 122.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM52691
Similarity: 0.8031
Similarity to MM52691
| Tanimoto metric | 0.8031 |
|---|---|
| Cosine metric | 0.8962 |
| Dice metric | 0.8908 |
| MW: | 122.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM175335
Similarity: 0.7559
Similarity to MM175335
| Tanimoto metric | 0.7559 |
|---|---|
| Cosine metric | 0.8694 |
| Dice metric | 0.861 |
| MW: | 122.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.34 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+74 more
