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DocumentationIdentifier: MM66945
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM66945 |
| SMILES |
C#CC(COC)OC(C)=O
|
| InChIKey |
UOIXSXNWLSCNFU-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
0.2
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM44536
Similarity: 0.8083
Similarity to MM44536
| Tanimoto metric | 0.8083 |
|---|---|
| Cosine metric | 0.8991 |
| Dice metric | 0.894 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.46 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM80120
Similarity: 0.6929
Similarity to MM80120
| Tanimoto metric | 0.6929 |
|---|---|
| Cosine metric | 0.8186 |
| Dice metric | 0.8186 |
| MW: | 138.12 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.84 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM80114
Similarity: 0.6467
Similarity to MM80114
| Tanimoto metric | 0.6467 |
|---|---|
| Cosine metric | 0.7857 |
| Dice metric | 0.7854 |
| MW: | 140.14 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.29 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+131 more
