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DocumentationIdentifier: MM94190
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM94190 |
| SMILES |
CCOC(C=O)C(O)C#N
|
| InChIKey |
CYQFFDPVTHLQSY-UHFFFAOYSA-N
|
| MW [Da] |
143.14
Automatically obtained from RDkit software. |
| LogP |
-0.53
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM53253
Similarity: 0.791
Similarity to MM53253
| Tanimoto metric | 0.791 |
|---|---|
| Cosine metric | 0.8894 |
| Dice metric | 0.8833 |
| MW: | 129.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM179716
Similarity: 0.7015
Similarity to MM179716
| Tanimoto metric | 0.7015 |
|---|---|
| Cosine metric | 0.8376 |
| Dice metric | 0.8246 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.03 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM400717
Similarity: 0.6752
Similarity to MM400717
| Tanimoto metric | 0.6752 |
|---|---|
| Cosine metric | 0.8062 |
| Dice metric | 0.8061 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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