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DocumentationIdentifier: MM15998
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM15998 |
| SMILES |
C=C(C=O)OC(=O)CC#N
|
| InChIKey |
HQUXNEGXCIQATL-UHFFFAOYSA-N
|
| MW [Da] |
139.11
Automatically obtained from RDkit software. |
| LogP |
0.16
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM142767
Similarity: 0.792
Similarity to MM142767
| Tanimoto metric | 0.792 |
|---|---|
| Cosine metric | 0.8899 |
| Dice metric | 0.8839 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM135663
Similarity: 0.768
Similarity to MM135663
| Tanimoto metric | 0.768 |
|---|---|
| Cosine metric | 0.8764 |
| Dice metric | 0.8688 |
| MW: | 125.13 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.98 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM263655
Similarity: 0.6849
Similarity to MM263655
| Tanimoto metric | 0.6849 |
|---|---|
| Cosine metric | 0.8131 |
| Dice metric | 0.813 |
| MW: | 144.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.38 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+61 more
