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DocumentationIdentifier: MM15808
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM15808 |
| SMILES |
C#CC(=O)C(C=O)OC=C
|
| InChIKey |
XQWOOBHAYBTYJY-UHFFFAOYSA-N
|
| MW [Da] |
138.12
Automatically obtained from RDkit software. |
| LogP |
-0.08
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM15863
Similarity: 0.7956
Similarity to MM15863
| Tanimoto metric | 0.7956 |
|---|---|
| Cosine metric | 0.892 |
| Dice metric | 0.8862 |
| MW: | 126.11 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.6 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM172860
Similarity: 0.7737
Similarity to MM172860
| Tanimoto metric | 0.7737 |
|---|---|
| Cosine metric | 0.8796 |
| Dice metric | 0.8724 |
| MW: | 124.14 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.74 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM15806
Similarity: 0.6788
Similarity to MM15806
| Tanimoto metric | 0.6788 |
|---|---|
| Cosine metric | 0.8239 |
| Dice metric | 0.8087 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.3 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+55 more
