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DocumentationIdentifier: MM77348
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM77348 |
| SMILES |
N#CCCC(O)(C#N)C#N
|
| InChIKey |
IIONNRDMGOPUIC-UHFFFAOYSA-N
|
| MW [Da] |
135.13
Automatically obtained from RDkit software. |
| LogP |
0.07
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM41888
Similarity: 0.8539
Similarity to MM41888
| Tanimoto metric | 0.8539 |
|---|---|
| Cosine metric | 0.9241 |
| Dice metric | 0.9212 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM42341
Similarity: 0.8539
Similarity to MM42341
| Tanimoto metric | 0.8539 |
|---|---|
| Cosine metric | 0.9241 |
| Dice metric | 0.9212 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.56 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM58272
Similarity: 0.78
Similarity to MM58272
| Tanimoto metric | 0.78 |
|---|---|
| Cosine metric | 0.8764 |
| Dice metric | 0.8764 |
| MW: | 138.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.81 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+87 more
