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DocumentationIdentifier: MM389950
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM389950 |
| SMILES |
C=CC(C(=C)C)C(=C)C#N
|
| InChIKey |
CUXNMBKTPNHLNU-UHFFFAOYSA-N
|
| MW [Da] |
133.19
Automatically obtained from RDkit software. |
| LogP |
2.44
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM160670
Similarity: 0.8627
Similarity to MM160670
| Tanimoto metric | 0.8627 |
|---|---|
| Cosine metric | 0.9288 |
| Dice metric | 0.9263 |
| MW: | 121.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.28 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM378650
Similarity: 0.8519
Similarity to MM378650
| Tanimoto metric | 0.8519 |
|---|---|
| Cosine metric | 0.9202 |
| Dice metric | 0.92 |
| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM350843
Similarity: 0.8148
Similarity to MM350843
| Tanimoto metric | 0.8148 |
|---|---|
| Cosine metric | 0.8987 |
| Dice metric | 0.898 |
| MW: | 132.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.78 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+192 more
