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Documentation2-ethoxypropanedinitrile
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM02595 |
| SMILES |
CCOC(C#N)C#N
|
| InChIKey |
KGXYIDGMDVUFII-UHFFFAOYSA-N
|
| MW [Da] |
110.12
Automatically obtained from RDkit software. |
| LogP |
0.44
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
13838546
|
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM02592
Similarity: 0.9
Similarity to MM02592
| Tanimoto metric | 0.9 |
|---|---|
| Cosine metric | 0.9487 |
| Dice metric | 0.9474 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.83 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM54411
Similarity: 0.8824
Similarity to MM54411
| Tanimoto metric | 0.8824 |
|---|---|
| Cosine metric | 0.9393 |
| Dice metric | 0.9375 |
| MW: | 121.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.06 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM15826
Similarity: 0.8333
Similarity to MM15826
| Tanimoto metric | 0.8333 |
|---|---|
| Cosine metric | 0.9129 |
| Dice metric | 0.9091 |
| MW: | 135.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.33 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+179 more
