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DocumentationIdentifier: MM350859
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM350859 |
| SMILES |
C=C(C#N)C(O)C(=C)C#N
|
| InChIKey |
ZFVQYVFVQHCHKA-UHFFFAOYSA-N
|
| MW [Da] |
134.14
Automatically obtained from RDkit software. |
| LogP |
0.51
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM35687
Similarity: 0.7103
Similarity to MM35687
| Tanimoto metric | 0.7103 |
|---|---|
| Cosine metric | 0.8428 |
| Dice metric | 0.8306 |
| MW: | 109.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.61 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM350899
Similarity: 0.6733
Similarity to MM350899
| Tanimoto metric | 0.6733 |
|---|---|
| Cosine metric | 0.8137 |
| Dice metric | 0.8048 |
| MW: | 133.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.62 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM82547
Similarity: 0.6474
Similarity to MM82547
| Tanimoto metric | 0.6474 |
|---|---|
| Cosine metric | 0.7972 |
| Dice metric | 0.786 |
| MW: | 137.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.18 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+163 more
