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DocumentationIdentifier: MM47504
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM47504 |
| SMILES |
CC(O)C(=O)C(O)C#N
|
| InChIKey |
VFEBPTPCAMUIAA-UHFFFAOYSA-N
|
| MW [Da] |
129.12
Automatically obtained from RDkit software. |
| LogP |
-1.18
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM82664
Similarity: 0.9412
Similarity to MM82664
| Tanimoto metric | 0.9412 |
|---|---|
| Cosine metric | 0.9701 |
| Dice metric | 0.9697 |
| MW: | 140.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -1.68 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM50371
Similarity: 0.7745
Similarity to MM50371
| Tanimoto metric | 0.7745 |
|---|---|
| Cosine metric | 0.8745 |
| Dice metric | 0.8729 |
| MW: | 124.1 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM35602
Similarity: 0.75
Similarity to MM35602
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.866 |
| Dice metric | 0.8571 |
| MW: | 113.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+208 more
