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DocumentationIdentifier: MM83767
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM83767 |
| SMILES |
CNC=CC(=O)OCC#N
|
| InChIKey |
JBSLZMKGSSOMCU-UHFFFAOYSA-N
|
| MW [Da] |
140.14
Automatically obtained from RDkit software. |
| LogP |
-0.21
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
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MM46461
Similarity: 0.82
Similarity to MM46461
| Tanimoto metric | 0.82 |
|---|---|
| Cosine metric | 0.9055 |
| Dice metric | 0.9011 |
| MW: | 126.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM60252
Similarity: 0.7009
Similarity to MM60252
| Tanimoto metric | 0.7009 |
|---|---|
| Cosine metric | 0.8241 |
| Dice metric | 0.8241 |
| MW: | 141.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.19 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM357891
Similarity: 0.6891
Similarity to MM357891
| Tanimoto metric | 0.6891 |
|---|---|
| Cosine metric | 0.8159 |
| Dice metric | 0.8159 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+151 more
