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DocumentationIdentifier: MM02895
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM02895 |
| SMILES |
CC(C=O)C(C#N)C#N
|
| InChIKey |
USLARCHTPGXWIG-UHFFFAOYSA-N
|
| MW [Da] |
122.13
Automatically obtained from RDkit software. |
| LogP |
0.48
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM35423
Similarity: 0.8333
Similarity to MM35423
| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 111.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
2-formyl-3-methylbutanedinitrile
Similarity: 0.7826
Similarity to 2-formyl-3-methylbutanedinitrile
| Tanimoto metric | 0.7826 |
|---|---|
| Cosine metric | 0.8783 |
| Dice metric | 0.878 |
| MW: | 122.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.48 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
2-(2-oxoethyl)propanedinitrile
Similarity: 0.7333
Similarity to 2-(2-oxoethyl)propanedinitrile
| Tanimoto metric | 0.7333 |
|---|---|
| Cosine metric | 0.8563 |
| Dice metric | 0.8462 |
| MW: | 108.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.24 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+182 more
