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DocumentationIdentifier: MM350807
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM350807 |
| SMILES |
CCOCC(=O)C(C)C#N
|
| InChIKey |
HJYRCAWKSHTCHM-UHFFFAOYSA-N
|
| MW [Da] |
141.17
Automatically obtained from RDkit software. |
| LogP |
0.75
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM02972
Similarity: 0.752
Similarity to MM02972
| Tanimoto metric | 0.752 |
|---|---|
| Cosine metric | 0.8587 |
| Dice metric | 0.8584 |
| MW: | 141.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.11 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM242321
Similarity: 0.7132
Similarity to MM242321
| Tanimoto metric | 0.7132 |
|---|---|
| Cosine metric | 0.833 |
| Dice metric | 0.8326 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.75 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM15864
Similarity: 0.6754
Similarity to MM15864
| Tanimoto metric | 0.6754 |
|---|---|
| Cosine metric | 0.8122 |
| Dice metric | 0.8063 |
| MW: | 141.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.32 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+209 more
