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DocumentationIdentifier: MM330058
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM330058 |
| SMILES |
C#CC(CF)OC(=O)CC
|
| InChIKey |
WVFPFAFZZBZTCL-UHFFFAOYSA-N
|
| MW [Da] |
144.15
Automatically obtained from RDkit software. |
| LogP |
0.91
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM262970
Similarity: 0.7042
Similarity to MM262970
| Tanimoto metric | 0.7042 |
|---|---|
| Cosine metric | 0.8283 |
| Dice metric | 0.8264 |
| MW: | 144.15 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.91 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM142482
Similarity: 0.6977
Similarity to MM142482
| Tanimoto metric | 0.6977 |
|---|---|
| Cosine metric | 0.8353 |
| Dice metric | 0.8219 |
| MW: | 126.16 |
||||
|---|---|---|---|---|---|
| PI: | 3
Total passive interactions
|
| LogP: | 0.96 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM330060
Similarity: 0.6581
Similarity to MM330060
| Tanimoto metric | 0.6581 |
|---|---|
| Cosine metric | 0.7938 |
| Dice metric | 0.7938 |
| MW: | 146.12 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.51 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+103 more
