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DocumentationIdentifier: MM87947
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM87947 |
| SMILES |
C#CC(COC)OCC=O
|
| InChIKey |
PSUQXBWWRJFIJX-UHFFFAOYSA-N
|
| MW [Da] |
142.15
Automatically obtained from RDkit software. |
| LogP |
-0.15
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM199133
Similarity: 0.8041
Similarity to MM199133
| Tanimoto metric | 0.8041 |
|---|---|
| Cosine metric | 0.8967 |
| Dice metric | 0.8914 |
| MW: | 128.13 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.8 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM51336
Similarity: 0.7835
Similarity to MM51336
| Tanimoto metric | 0.7835 |
|---|---|
| Cosine metric | 0.8852 |
| Dice metric | 0.8786 |
| MW: | 128.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.67 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM403962
Similarity: 0.7207
Similarity to MM403962
| Tanimoto metric | 0.7207 |
|---|---|
| Cosine metric | 0.8378 |
| Dice metric | 0.8377 |
| MW: | 142.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.15 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+356 more
