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DocumentationIdentifier: MM53490
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM53490 |
| SMILES |
C#CC(=O)C(C#C)OC
|
| InChIKey |
YVVOXYYMSLSPAV-UHFFFAOYSA-N
|
| MW [Da] |
122.12
Automatically obtained from RDkit software. |
| LogP |
-0.16
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM94952
Similarity: 0.7929
Similarity to MM94952
| Tanimoto metric | 0.7929 |
|---|---|
| Cosine metric | 0.8904 |
| Dice metric | 0.8845 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM94955
Similarity: 0.7762
Similarity to MM94955
| Tanimoto metric | 0.7762 |
|---|---|
| Cosine metric | 0.881 |
| Dice metric | 0.874 |
| MW: | 134.13 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM380254
Similarity: 0.7708
Similarity to MM380254
| Tanimoto metric | 0.7708 |
|---|---|
| Cosine metric | 0.878 |
| Dice metric | 0.8706 |
| MW: | 136.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.23 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+205 more
