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DocumentationIdentifier: MM93688
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM93688 |
| SMILES |
C#CC(C=O)N(C)CC#N
|
| InChIKey |
BHLJOUOIPPNOPX-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
-0.36
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM91109
Similarity: 0.6917
Similarity to MM91109
| Tanimoto metric | 0.6917 |
|---|---|
| Cosine metric | 0.8317 |
| Dice metric | 0.8177 |
| MW: | 122.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.7 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM72705
Similarity: 0.6583
Similarity to MM72705
| Tanimoto metric | 0.6583 |
|---|---|
| Cosine metric | 0.8114 |
| Dice metric | 0.794 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM37927
Similarity: 0.6047
Similarity to MM37927
| Tanimoto metric | 0.6047 |
|---|---|
| Cosine metric | 0.7634 |
| Dice metric | 0.7536 |
| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.08 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+62 more
