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DocumentationIdentifier: MM296656
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM296656 |
| SMILES |
C#CCC(=O)C(C)=CCC
|
| InChIKey |
NSUCQYFJZUNGIO-UHFFFAOYSA-N
|
| MW [Da] |
136.19
Automatically obtained from RDkit software. |
| LogP |
1.94
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM296672
Similarity: 0.7744
Similarity to MM296672
| Tanimoto metric | 0.7744 |
|---|---|
| Cosine metric | 0.873 |
| Dice metric | 0.8729 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.72 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM360812
Similarity: 0.75
Similarity to MM360812
| Tanimoto metric | 0.75 |
|---|---|
| Cosine metric | 0.8577 |
| Dice metric | 0.8571 |
| MW: | 136.19 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.94 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM296687
Similarity: 0.7333
Similarity to MM296687
| Tanimoto metric | 0.7333 |
|---|---|
| Cosine metric | 0.8462 |
| Dice metric | 0.8462 |
| MW: | 132.16 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 1.16 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+396 more
