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DocumentationIdentifier: MM430652
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM430652 |
| SMILES |
COCC#CC#CC(=O)O
|
| InChIKey |
JOXAGIIIOIIAMF-UHFFFAOYSA-N
|
| MW [Da] |
138.12
Automatically obtained from RDkit software. |
| LogP |
-0.28
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM93695
Similarity: 0.8684
Similarity to MM93695
| Tanimoto metric | 0.8684 |
|---|---|
| Cosine metric | 0.9319 |
| Dice metric | 0.9296 |
| MW: | 138.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM93704
Similarity: 0.8205
Similarity to MM93704
| Tanimoto metric | 0.8205 |
|---|---|
| Cosine metric | 0.9037 |
| Dice metric | 0.9014 |
| MW: | 136.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.63 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
6-hydroxyhexa-2,4-diynoic Acid
Similarity: 0.8182
Similarity to 6-hydroxyhexa-2,4-diynoic Acid
| Tanimoto metric | 0.8182 |
|---|---|
| Cosine metric | 0.9045 |
| Dice metric | 0.9 |
| MW: | 124.1 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | -0.93 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+242 more
