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DocumentationIdentifier: MM289771
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM289771 |
| SMILES |
CC=CC#CC=CC(=O)O
|
| InChIKey |
GWSAYIVCIDLKKS-UHFFFAOYSA-N
|
| MW [Da] |
136.15
Automatically obtained from RDkit software. |
| LogP |
1.21
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM154527
Similarity: 0.9701
Similarity to MM154527
| Tanimoto metric | 0.9701 |
|---|---|
| Cosine metric | 0.985 |
| Dice metric | 0.9848 |
| MW: | 122.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.82 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM106406
Similarity: 0.8657
Similarity to MM106406
| Tanimoto metric | 0.8657 |
|---|---|
| Cosine metric | 0.9304 |
| Dice metric | 0.928 |
| MW: | 110.11 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.65 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM399772
Similarity: 0.7632
Similarity to MM399772
| Tanimoto metric | 0.7632 |
|---|---|
| Cosine metric | 0.8657 |
| Dice metric | 0.8657 |
| MW: | 124.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.17 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+261 more
