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DocumentationIdentifier: MM107638
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM107638 |
| SMILES |
C=CCC(=O)C=CC
|
| InChIKey |
HTFIIJWSUHAMIQ-UHFFFAOYSA-N
|
| MW [Da] |
110.16
Automatically obtained from RDkit software. |
| LogP |
1.71
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM157417
Similarity: 0.8983
Similarity to MM157417
| Tanimoto metric | 0.8983 |
|---|---|
| Cosine metric | 0.9478 |
| Dice metric | 0.9464 |
| MW: | 124.18 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 2.1 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM158041
Similarity: 0.8281
Similarity to MM158041
| Tanimoto metric | 0.8281 |
|---|---|
| Cosine metric | 0.91 |
| Dice metric | 0.906 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.89 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM113709
Similarity: 0.8246
Similarity to MM113709
| Tanimoto metric | 0.8246 |
|---|---|
| Cosine metric | 0.904 |
| Dice metric | 0.9038 |
| MW: | 110.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 1.71 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+454 more
