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DocumentationIdentifier: MM351093
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM351093 |
| SMILES |
C=C(CCC=O)C(O)C#N
|
| InChIKey |
FFCXHNBXAAAQRC-UHFFFAOYSA-N
|
| MW [Da] |
139.15
Automatically obtained from RDkit software. |
| LogP |
0.41
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM351095
Similarity: 0.7239
Similarity to MM351095
| Tanimoto metric | 0.7239 |
|---|---|
| Cosine metric | 0.8412 |
| Dice metric | 0.8398 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.73 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM351089
Similarity: 0.708
Similarity to MM351089
| Tanimoto metric | 0.708 |
|---|---|
| Cosine metric | 0.8298 |
| Dice metric | 0.8291 |
| MW: | 137.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.39 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM66416
Similarity: 0.6688
Similarity to MM66416
| Tanimoto metric | 0.6688 |
|---|---|
| Cosine metric | 0.8045 |
| Dice metric | 0.8015 |
| MW: | 139.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.41 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+141 more
