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DocumentationIdentifier: MM80728
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM80728 |
| SMILES |
N#CC(=CF)OC(=O)CO
|
| InChIKey |
ZGEMWJIODDVLSA-UHFFFAOYSA-N
|
| MW [Da] |
145.09
Automatically obtained from RDkit software. |
| LogP |
-0.14
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM150564
Similarity: 0.7746
Similarity to MM150564
| Tanimoto metric | 0.7746 |
|---|---|
| Cosine metric | 0.8801 |
| Dice metric | 0.873 |
| MW: | 129.09 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.88 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM43394
Similarity: 0.7254
Similarity to MM43394
| Tanimoto metric | 0.7254 |
|---|---|
| Cosine metric | 0.8517 |
| Dice metric | 0.8408 |
| MW: | 134.11 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | 0.35 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM142770
Similarity: 0.7113
Similarity to MM142770
| Tanimoto metric | 0.7113 |
|---|---|
| Cosine metric | 0.8434 |
| Dice metric | 0.8313 |
| MW: | 127.1 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -0.44 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+39 more
