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DocumentationIdentifier: MM35689
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM35689 |
| SMILES |
C=CC(=C)C(O)C#N
|
| InChIKey |
ZPFYJNMXYWFBCF-UHFFFAOYSA-N
|
| MW [Da] |
109.13
Automatically obtained from RDkit software. |
| LogP |
0.61
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM174413
Similarity: 0.7524
Similarity to MM174413
| Tanimoto metric | 0.7524 |
|---|---|
| Cosine metric | 0.8674 |
| Dice metric | 0.8587 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM27072
Similarity: 0.6962
Similarity to MM27072
| Tanimoto metric | 0.6962 |
|---|---|
| Cosine metric | 0.8344 |
| Dice metric | 0.8209 |
| MW: | 97.12 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.45 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM197959
Similarity: 0.693
Similarity to MM197959
| Tanimoto metric | 0.693 |
|---|---|
| Cosine metric | 0.8325 |
| Dice metric | 0.8187 |
| MW: | 123.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+432 more
