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DocumentationIdentifier: MM262806
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM262806 |
| SMILES |
CC(C#N)CC(=O)CC#N
|
| InChIKey |
NQGORCLYEQIBPC-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
1.02
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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MM142207
Similarity: 0.878
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| Tanimoto metric | 0.878 |
|---|---|
| Cosine metric | 0.937 |
| Dice metric | 0.9351 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.52 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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MM246103
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| Tanimoto metric | 0.8132 |
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| Cosine metric | 0.897 |
| Dice metric | 0.897 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.76 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
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2-(2-oxobutyl)propanedinitrile
Similarity: 0.7826
Similarity to 2-(2-oxobutyl)propanedinitrile
| Tanimoto metric | 0.7826 |
|---|---|
| Cosine metric | 0.878 |
| Dice metric | 0.878 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 1.02 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+195 more
