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DocumentationIdentifier: MM26694
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM26694 |
| SMILES |
C=CC(=C)C=CC
|
| InChIKey |
VHXSBYYYUADKRN-UHFFFAOYSA-N
|
| MW [Da] |
94.16
Automatically obtained from RDkit software. |
| LogP |
2.3
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM107749
Similarity: 0.8889
Similarity to MM107749
| Tanimoto metric | 0.8889 |
|---|---|
| Cosine metric | 0.9428 |
| Dice metric | 0.9412 |
| MW: | 108.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM114340
Similarity: 0.8
Similarity to MM114340
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 106.17 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.47 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM114319
Similarity: 0.8
Similarity to MM114319
| Tanimoto metric | 0.8 |
|---|---|
| Cosine metric | 0.8944 |
| Dice metric | 0.8889 |
| MW: | 108.18 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 2.69 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
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