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DocumentationIdentifier: MM376709
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM376709 |
| SMILES |
CCOC(C#N)C(O)C=O
|
| InChIKey |
FVYSXJHDLZEBIH-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 |
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MM197001
Similarity: 0.7852
Similarity to MM197001
| Tanimoto metric | 0.7852 |
|---|---|
| Cosine metric | 0.8861 |
| Dice metric | 0.8797 |
| MW: | 129.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.92 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM52175
Similarity: 0.6963
Similarity to MM52175
| Tanimoto metric | 0.6963 |
|---|---|
| Cosine metric | 0.8344 |
| Dice metric | 0.821 |
| MW: | 129.16 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM400717
Similarity: 0.6709
Similarity to MM400717
| Tanimoto metric | 0.6709 |
|---|---|
| Cosine metric | 0.8032 |
| Dice metric | 0.803 |
| MW: | 143.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.26 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+123 more
